##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section C. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section C, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_CaSal
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;
catena-Poly[[diaquacalcium(II)]-bis(μ₂-2-hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     ?
_chemical_formula_sum     'C14 H14 Ca O8'
_chemical_formula_iupac     '[Ca (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     350.33
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.4233(14)
_cell_length_b     11.5002(9)
_cell_length_c     7.6203(6)
_cell_angle_alpha     90
_cell_angle_beta     91.914(7)
_cell_angle_gamma     90
_cell_volume     1438.5(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3540
_cell_measurement_theta_min     3.4009
_cell_measurement_theta_max     30.3287
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.618
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     728
_exptl_absorpt_coefficient_mu     0.478
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.91355
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6630
_diffrn_reflns_av_R_equivalents     0.0272
_diffrn_reflns_theta_min     3.408
_diffrn_reflns_theta_max     27.484
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     19
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1638
_reflns_number_gt     1489
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0305
_refine_ls_R_factor_gt     0.0267
_refine_ls_wR_factor_gt     0.0653
_refine_ls_wR_factor_ref     0.0676
_refine_ls_goodness_of_fit_ref     1.083
_refine_ls_restrained_S_all     1.083
_refine_ls_number_reflns     1638
_refine_ls_number_parameters     117
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0296P)²+1.0416P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.343
_refine_diff_density_min     -0.204
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ca Ca1 0.5000 0.45083(3) -0.2500 0.01114(11) Uani d 1 . .
    O O1 0.25618(6) 0.25378(9) 0.26849(13) 0.0177(2) Uani d 1 . .
    O O2 0.37861(6) 0.40061(8) 0.26911(12) 0.0153(2) Uani d 1 . .
    O O3 0.45483(6) 0.39842(8) 0.03573(12) 0.0148(2) Uani d 1 . .
    O O1W 0.39906(6) 0.32390(9) -0.37242(13) 0.0196(2) Uani d 1 . .
    C C1 0.30186(8) 0.18870(11) 0.15844(16) 0.0135(3) Uani d 1 . .
    C C2 0.27321(9) 0.07827(12) 0.11389(17) 0.0180(3) Uani d 1 . .
    H H2 0.2225 0.0518 0.1550 0.022 Uiso calc 1 . .
    C C3 0.31936(9) 0.00752(12) 0.00916(18) 0.0206(3) Uani d 1 . .
    H H3 0.3005 -0.0685 -0.0191 0.025 Uiso calc 1 . .
    C C4 0.39285(9) 0.04591(12) -0.05540(19) 0.0201(3) Uani d 1 . .
    H H4 0.4244 -0.0039 -0.1257 0.024 Uiso calc 1 . .
    C C5 0.41968(8) 0.15710(11) -0.01649(17) 0.0164(3) Uani d 1 . .
    H H5 0.4692 0.1842 -0.0630 0.020 Uiso calc 1 . .
    C C6 0.37466(8) 0.23026(11) 0.09084(16) 0.0126(3) Uani d 1 . .
    C C7 0.40414(8) 0.34989(11) 0.13286(16) 0.0116(3) Uani d 1 . .
    H H1O 0.2805(13) 0.3137(18) 0.288(3) 0.041(6) Uiso d 1 . .
    H H1W 0.3577(10) 0.2942(16) -0.336(2) 0.037(5) Uiso d 1 . .
    H H2W 0.3917(12) 0.3364(16) -0.481(2) 0.035(5) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ca1 O1W 2_654 2.3761(10) ?
    Ca1 O1W . 2.3761(10) ?
    Ca1 O3 . 2.4005(9) ?
    Ca1 O3 2_654 2.4005(9) ?
    Ca1 O3 5_665 2.4781(9) ?
    Ca1 O3 6_565 2.4781(9) ?
    Ca1 O2 5_665 2.6333(9) ?
    Ca1 O2 6_565 2.6333(9) ?
    Ca1 C7 5_665 2.9041(13) ?
    Ca1 C7 6_565 2.9041(13) ?
    Ca1 Ca1 5_665 3.9745(4) ?
    Ca1 Ca1 5_664 3.9745(4) ?
    Ca1 H2W . 2.789(17) ?
    O1 C1 . 1.3669(16) ?
    O1 H1O . 0.81(2) ?
    O2 C7 . 1.2740(15) ?
    O2 Ca1 5_665 2.6333(9) ?
    O3 C7 . 1.2624(15) ?
    O3 Ca1 5_665 2.4781(9) ?
    O1W H1W . 0.819(15) ?
    O1W H2W . 0.842(15) ?
    C1 C2 . 1.3924(18) ?
    C1 C6 . 1.4016(18) ?
    C2 C3 . 1.383(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.390(2) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.3814(19) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.4013(18) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.4898(17) ?
    C7 Ca1 5_665 2.9041(13) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Ca1 O1W 2_654 . 104.19(5) ?
    O1W Ca1 O3 2_654 . 73.88(3) ?
    O1W Ca1 O3 . . 88.24(3) ?
    O1W Ca1 O3 2_654 2_654 88.24(3) ?
    O1W Ca1 O3 . 2_654 73.88(3) ?
    O3 Ca1 O3 . 2_654 150.92(5) ?
    O1W Ca1 O3 2_654 5_665 88.94(3) ?
    O1W Ca1 O3 . 5_665 151.41(3) ?
    O3 Ca1 O3 . 5_665 70.90(3) ?
    O3 Ca1 O3 2_654 5_665 132.73(3) ?
    O1W Ca1 O3 2_654 6_565 151.41(3) ?
    O1W Ca1 O3 . 6_565 88.94(3) ?
    O3 Ca1 O3 . 6_565 132.73(3) ?
    O3 Ca1 O3 2_654 6_565 70.90(3) ?
    O3 Ca1 O3 5_665 6_565 91.21(4) ?
    O1W Ca1 O2 2_654 5_665 84.30(3) ?
    O1W Ca1 O2 . 5_665 153.69(3) ?
    O3 Ca1 O2 . 5_665 118.07(3) ?
    O3 Ca1 O2 2_654 5_665 81.68(3) ?
    O3 Ca1 O2 5_665 5_665 51.10(3) ?
    O3 Ca1 O2 6_565 5_665 73.75(3) ?
    O1W Ca1 O2 2_654 6_565 153.69(3) ?
    O1W Ca1 O2 . 6_565 84.30(3) ?
    O3 Ca1 O2 . 6_565 81.68(3) ?
    O3 Ca1 O2 2_654 6_565 118.07(3) ?
    O3 Ca1 O2 5_665 6_565 73.75(3) ?
    O3 Ca1 O2 6_565 6_565 51.10(3) ?
    O2 Ca1 O2 5_665 6_565 99.10(4) ?
    O1W Ca1 C7 2_654 5_665 90.01(4) ?
    O1W Ca1 C7 . 5_665 165.80(4) ?
    O3 Ca1 C7 . 5_665 95.75(3) ?
    O3 Ca1 C7 2_654 5_665 107.23(3) ?
    O3 Ca1 C7 5_665 5_665 25.59(3) ?
    O3 Ca1 C7 6_565 5_665 78.33(3) ?
    O2 Ca1 C7 5_665 5_665 26.01(3) ?
    O2 Ca1 C7 6_565 5_665 82.80(3) ?
    O1W Ca1 C7 2_654 6_565 165.80(4) ?
    O1W Ca1 C7 . 6_565 90.01(4) ?
    O3 Ca1 C7 . 6_565 107.23(3) ?
    O3 Ca1 C7 2_654 6_565 95.75(3) ?
    O3 Ca1 C7 5_665 6_565 78.33(3) ?
    O3 Ca1 C7 6_565 6_565 25.59(3) ?
    O2 Ca1 C7 5_665 6_565 82.80(3) ?
    O2 Ca1 C7 6_565 6_565 26.01(3) ?
    C7 Ca1 C7 5_665 6_565 75.79(5) ?
    O1W Ca1 Ca1 2_654 5_665 79.68(3) ?
    O1W Ca1 Ca1 . 5_665 121.93(3) ?
    O3 Ca1 Ca1 . 5_665 36.10(2) ?
    O3 Ca1 Ca1 2_654 5_665 161.97(2) ?
    O3 Ca1 Ca1 5_665 5_665 34.80(2) ?
    O3 Ca1 Ca1 6_565 5_665 115.02(3) ?
    O2 Ca1 Ca1 5_665 5_665 83.84(2) ?
    O2 Ca1 Ca1 6_565 5_665 74.82(2) ?
    C7 Ca1 Ca1 5_665 5_665 59.88(3) ?
    C7 Ca1 Ca1 6_565 5_665 93.02(3) ?
    O1W Ca1 Ca1 2_654 5_664 121.93(3) ?
    O1W Ca1 Ca1 . 5_664 79.67(3) ?
    O3 Ca1 Ca1 . 5_664 161.97(2) ?
    O3 Ca1 Ca1 2_654 5_664 36.10(2) ?
    O3 Ca1 Ca1 5_665 5_664 115.02(3) ?
    O3 Ca1 Ca1 6_565 5_664 34.80(2) ?
    O2 Ca1 Ca1 5_665 5_664 74.82(2) ?
    O2 Ca1 Ca1 6_565 5_664 83.84(2) ?
    C7 Ca1 Ca1 5_665 5_664 93.02(3) ?
    C7 Ca1 Ca1 6_565 5_664 59.88(3) ?
    Ca1 Ca1 Ca1 5_665 5_664 146.93(2) ?
    O1W Ca1 H2W 2_654 . 112.3(4) ?
    O1W Ca1 H2W . . 16.4(3) ?
    O3 Ca1 H2W . . 104.1(3) ?
    O3 Ca1 H2W 2_654 . 61.3(4) ?
    O3 Ca1 H2W 5_665 . 156.4(4) ?
    O3 Ca1 H2W 6_565 . 75.2(4) ?
    O2 Ca1 H2W 5_665 . 137.7(3) ?
    O2 Ca1 H2W 6_565 . 82.7(4) ?
    C7 Ca1 H2W 5_665 . 153.4(3) ?
    C7 Ca1 H2W 6_565 . 81.4(4) ?
    Ca1 Ca1 H2W 5_665 . 135.9(4) ?
    Ca1 Ca1 H2W 5_664 . 63.3(3) ?
    C1 O1 H1O . . 107.4(15) ?
    C7 O2 Ca1 . 5_665 88.94(7) ?
    C7 O3 Ca1 . . 150.77(8) ?
    C7 O3 Ca1 . 5_665 96.42(7) ?
    Ca1 O3 Ca1 . 5_665 109.10(3) ?
    Ca1 O1W H1W . . 134.2(13) ?
    Ca1 O1W H2W . . 110.8(13) ?
    H1W O1W H2W . . 108.3(18) ?
    O1 C1 C2 . . 117.45(12) ?
    O1 C1 C6 . . 122.09(11) ?
    C2 C1 C6 . . 120.46(12) ?
    C3 C2 C1 . . 119.33(13) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.08(13) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.50(13) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.68(13) ?
    C4 C5 H5 . . 119.7 ?
    C6 C5 H5 . . 119.7 ?
    C5 C6 C1 . . 118.88(12) ?
    C5 C6 C7 . . 120.39(12) ?
    C1 C6 C7 . . 120.73(11) ?
    O3 C7 O2 . . 121.12(11) ?
    O3 C7 C6 . . 119.88(11) ?
    O2 C7 C6 . . 118.98(11) ?
    O3 C7 Ca1 . 5_665 57.99(6) ?
    O2 C7 Ca1 . 5_665 65.04(7) ?
    C6 C7 Ca1 . 5_665 164.53(9) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.15(12) ?
    C6 C1 C2 C3 . . . . 3.2(2) ?
    C1 C2 C3 C4 . . . . -1.5(2) ?
    C2 C3 C4 C5 . . . . -0.9(2) ?
    C3 C4 C5 C6 . . . . 1.6(2) ?
    C4 C5 C6 C1 . . . . 0.08(19) ?
    C4 C5 C6 C7 . . . . 179.75(12) ?
    O1 C1 C6 C5 . . . . 177.86(11) ?
    C2 C1 C6 C5 . . . . -2.53(19) ?
    O1 C1 C6 C7 . . . . -1.81(19) ?
    C2 C1 C6 C7 . . . . 177.80(12) ?
    Ca1 O3 C7 O2 . . . . -134.55(14) ?
    Ca1 O3 C7 O2 5_665 . . . 16.52(13) ?
    Ca1 O3 C7 C6 . . . . 46.8(2) ?
    Ca1 O3 C7 C6 5_665 . . . -162.11(10) ?
    Ca1 O3 C7 Ca1 . . . 5_665 -151.07(18) ?
    Ca1 O2 C7 O3 5_665 . . . -15.42(12) ?
    Ca1 O2 C7 C6 5_665 . . . 163.22(10) ?
    C5 C6 C7 O3 . . . . 20.62(18) ?
    C1 C6 C7 O3 . . . . -159.71(12) ?
    C5 C6 C7 O2 . . . . -158.04(12) ?
    C1 C6 C7 O2 . . . . 21.63(18) ?
    C5 C6 C7 Ca1 . . . 5_665 -56.9(4) ?
    C1 C6 C7 Ca1 . . . 5_665 122.8(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.81(2) 1.90(2) 2.6256(13) 148(2)
    O1W H1W O1 7 0.819(15) 2.031(15) 2.8391(14) 168.9(19)
    O1W H2W O2 1_554 0.842(15) 2.050(15) 2.8795(14) 168.6(18)
data_CaSr9010
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.96 O8 Sr0.04'
_chemical_formula_sum     'C14 H14 Ca0.96 O8 Sr0.04'
_chemical_formula_iupac     '[Ca0.96 Sr0.04 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     352.27
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.4335(7)
_cell_length_b     11.4974(4)
_cell_length_c     7.6301(3)
_cell_angle_alpha     90
_cell_angle_beta     91.778(4)
_cell_angle_gamma     90
_cell_volume     1440.96(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     11617
_cell_measurement_theta_min     3.4003
_cell_measurement_theta_max     29.4572
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.624
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     731
_exptl_absorpt_coefficient_mu     0.612
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.81759
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     16338
_diffrn_reflns_av_R_equivalents     0.0363
_diffrn_reflns_theta_min     3.407
_diffrn_reflns_theta_max     27.485
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1640
_reflns_number_gt     1582
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0220
_refine_ls_R_factor_gt     0.0211
_refine_ls_wR_factor_gt     0.0545
_refine_ls_wR_factor_ref     0.0551
_refine_ls_goodness_of_fit_ref     1.068
_refine_ls_restrained_S_all     1.068
_refine_ls_number_reflns     1640
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0272P)²+0.9927P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.288
_refine_diff_density_min     -0.207
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44977(2) -0.2500 0.01035(10) Uani d 0.041(2) . .
    Ca Ca1 0.5000 0.44977(2) -0.2500 0.01035(10) Uani d 0.959(2) . .
    O O1 0.25621(5) 0.25393(7) 0.26840(10) 0.01890(18) Uani d 1 . .
    O O2 0.37837(4) 0.40042(6) 0.26872(9) 0.01685(18) Uani d 1 . .
    O O3 0.45479(4) 0.39796(6) 0.03611(10) 0.01647(17) Uani d 1 . .
    O O1W 0.39881(5) 0.32319(7) -0.37328(11) 0.02102(19) Uani d 1 . .
    C C1 0.30173(6) 0.18873(9) 0.15848(13) 0.0145(2) Uani d 1 . .
    C C2 0.27303(7) 0.07831(9) 0.11382(14) 0.0187(2) Uani d 1 . .
    H H2 0.2222 0.0520 0.1548 0.022 Uiso calc 1 . .
    C C3 0.31912(7) 0.00729(9) 0.00925(15) 0.0216(2) Uani d 1 . .
    H H3 0.3002 -0.0687 -0.0189 0.026 Uiso calc 1 . .
    C C4 0.39272(7) 0.04548(9) -0.05531(15) 0.0215(2) Uani d 1 . .
    H H4 0.4243 -0.0044 -0.1255 0.026 Uiso calc 1 . .
    C C5 0.41952(7) 0.15686(9) -0.01624(14) 0.0176(2) Uani d 1 . .
    H H5 0.4690 0.1840 -0.0627 0.021 Uiso calc 1 . .
    C C6 0.37455(6) 0.23004(8) 0.09104(13) 0.0136(2) Uani d 1 . .
    C C7 0.40399(6) 0.34951(8) 0.13303(13) 0.0129(2) Uani d 1 . .
    H H1O 0.2824(11) 0.3190(16) 0.286(2) 0.042(5) Uiso d 1 . .
    H H1W 0.3548(11) 0.2929(15) -0.334(2) 0.044(5) Uiso d 1 . .
    H H2W 0.3914(10) 0.3352(14) -0.483(2) 0.037(4) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O1W 2_654 2.3814(8) ?
    Sr1 O1W . 2.3814(8) ?
    Sr1 O3 2_654 2.4027(7) ?
    Sr1 O3 . 2.4027(7) ?
    Sr1 O3 5_665 2.4910(7) ?
    Sr1 O3 6_565 2.4910(7) ?
    Sr1 O2 5_665 2.6458(7) ?
    Sr1 O2 6_565 2.6458(7) ?
    Sr1 C7 5_665 2.9198(10) ?
    Sr1 C7 6_565 2.9198(10) ?
    Sr1 Sr1 5_665 3.9861(2) ?
    Sr1 Ca1 5_665 3.9861(2) ?
    Sr1 H2W . 2.807(17) ?
    O1 C1 . 1.3652(12) ?
    O1 H1O . 0.872(18) ?
    O2 C7 . 1.2724(12) ?
    O2 Ca1 5_665 2.6458(7) ?
    O2 Sr1 5_665 2.6458(7) ?
    O3 C7 . 1.2620(12) ?
    O3 Ca1 5_665 2.4910(7) ?
    O3 Sr1 5_665 2.4910(7) ?
    O1W H1W . 0.864(19) ?
    O1W H2W . 0.853(18) ?
    C1 C2 . 1.3929(14) ?
    C1 C6 . 1.4002(14) ?
    C2 C3 . 1.3838(16) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.3911(17) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.3836(15) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.4007(14) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.4878(13) ?
    C7 Ca1 5_665 2.9197(10) ?
    C7 Sr1 5_665 2.9197(10) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Sr1 O1W 2_654 . 104.66(4) ?
    O1W Sr1 O3 2_654 2_654 88.60(3) ?
    O1W Sr1 O3 . 2_654 73.82(3) ?
    O1W Sr1 O3 2_654 . 73.82(3) ?
    O1W Sr1 O3 . . 88.60(3) ?
    O3 Sr1 O3 2_654 . 151.29(4) ?
    O1W Sr1 O3 2_654 5_665 88.87(3) ?
    O1W Sr1 O3 . 5_665 151.49(3) ?
    O3 Sr1 O3 2_654 5_665 132.47(3) ?
    O3 Sr1 O3 . 5_665 70.93(3) ?
    O1W Sr1 O3 2_654 6_565 151.49(3) ?
    O1W Sr1 O3 . 6_565 88.87(3) ?
    O3 Sr1 O3 2_654 6_565 70.93(3) ?
    O3 Sr1 O3 . 6_565 132.47(3) ?
    O3 Sr1 O3 5_665 6_565 90.69(4) ?
    O1W Sr1 O2 2_654 5_665 84.25(3) ?
    O1W Sr1 O2 . 5_665 153.63(3) ?
    O3 Sr1 O2 2_654 5_665 81.77(2) ?
    O3 Sr1 O2 . 5_665 117.77(2) ?
    O3 Sr1 O2 5_665 5_665 50.76(2) ?
    O3 Sr1 O2 6_565 5_665 73.59(2) ?
    O1W Sr1 O2 2_654 6_565 153.63(3) ?
    O1W Sr1 O2 . 6_565 84.25(3) ?
    O3 Sr1 O2 2_654 6_565 117.76(2) ?
    O3 Sr1 O2 . 6_565 81.77(2) ?
    O3 Sr1 O2 5_665 6_565 73.59(2) ?
    O3 Sr1 O2 6_565 6_565 50.76(2) ?
    O2 Sr1 O2 5_665 6_565 98.76(3) ?
    O1W Sr1 C7 2_654 5_665 89.90(3) ?
    O1W Sr1 C7 . 5_665 165.45(3) ?
    O3 Sr1 C7 2_654 5_665 107.12(3) ?
    O3 Sr1 C7 . 5_665 95.60(3) ?
    O3 Sr1 C7 5_665 5_665 25.43(3) ?
    O3 Sr1 C7 6_565 5_665 78.00(3) ?
    O2 Sr1 C7 5_665 5_665 25.83(2) ?
    O2 Sr1 C7 6_565 5_665 82.58(3) ?
    O1W Sr1 C7 2_654 6_565 165.45(3) ?
    O1W Sr1 C7 . 6_565 89.90(3) ?
    O3 Sr1 C7 2_654 6_565 95.60(3) ?
    O3 Sr1 C7 . 6_565 107.12(3) ?
    O3 Sr1 C7 5_665 6_565 78.00(3) ?
    O3 Sr1 C7 6_565 6_565 25.43(3) ?
    O2 Sr1 C7 5_665 6_565 82.58(3) ?
    O2 Sr1 C7 6_565 6_565 25.83(2) ?
    C7 Sr1 C7 5_665 6_565 75.55(4) ?
    O1W Sr1 Sr1 2_654 5_665 79.62(2) ?
    O1W Sr1 Sr1 . 5_665 122.30(2) ?
    O3 Sr1 Sr1 2_654 5_665 161.918(18) ?
    O3 Sr1 Sr1 . 5_665 36.203(17) ?
    O3 Sr1 Sr1 5_665 5_665 34.729(16) ?
    O3 Sr1 Sr1 6_565 5_665 114.49(2) ?
    O2 Sr1 Sr1 5_665 5_665 83.423(17) ?
    O2 Sr1 Sr1 6_565 5_665 74.766(17) ?
    C7 Sr1 Sr1 5_665 5_665 59.63(2) ?
    C7 Sr1 Sr1 6_565 5_665 92.72(2) ?
    O1W Sr1 Ca1 2_654 5_665 79.62(2) ?
    O1W Sr1 Ca1 . 5_665 122.30(2) ?
    O3 Sr1 Ca1 2_654 5_665 161.918(18) ?
    O3 Sr1 Ca1 . 5_665 36.203(17) ?
    O3 Sr1 Ca1 5_665 5_665 34.729(16) ?
    O3 Sr1 Ca1 6_565 5_665 114.49(2) ?
    O2 Sr1 Ca1 5_665 5_665 83.423(17) ?
    O2 Sr1 Ca1 6_565 5_665 74.766(17) ?
    C7 Sr1 Ca1 5_665 5_665 59.63(2) ?
    C7 Sr1 Ca1 6_565 5_665 92.72(2) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.000(7) ?
    O1W Sr1 H2W 2_654 . 112.7(3) ?
    O1W Sr1 H2W . . 16.4(4) ?
    O3 Sr1 H2W 2_654 . 61.1(4) ?
    O3 Sr1 H2W . . 104.5(4) ?
    O3 Sr1 H2W 5_665 . 156.3(3) ?
    O3 Sr1 H2W 6_565 . 75.2(3) ?
    O2 Sr1 H2W 5_665 . 137.5(4) ?
    O2 Sr1 H2W 6_565 . 82.7(3) ?
    C7 Sr1 H2W 5_665 . 153.0(4) ?
    C7 Sr1 H2W 6_565 . 81.4(3) ?
    Sr1 Sr1 H2W 5_665 . 136.3(4) ?
    Ca1 Sr1 H2W 5_665 . 136.3(4) ?
    C1 O1 H1O . . 106.9(12) ?
    C7 O2 Ca1 . 5_665 89.20(6) ?
    C7 O2 Sr1 . 5_665 89.20(6) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 150.54(7) ?
    C7 O3 Ca1 . 5_665 96.64(6) ?
    Sr1 O3 Ca1 . 5_665 109.1 ?
    C7 O3 Sr1 . 5_665 96.64(6) ?
    Sr1 O3 Sr1 . 5_665 109.07(3) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 133.8(11) ?
    Sr1 O1W H2W . . 111.4(11) ?
    H1W O1W H2W . . 107.9(15) ?
    O1 C1 C2 . . 117.57(9) ?
    O1 C1 C6 . . 122.02(9) ?
    C2 C1 C6 . . 120.40(10) ?
    C3 C2 C1 . . 119.44(10) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.03(10) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.35(10) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.78(10) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C1 C6 C5 . . 118.91(9) ?
    C1 C6 C7 . . 120.66(9) ?
    C5 C6 C7 . . 120.43(9) ?
    O3 C7 O2 . . 121.02(9) ?
    O3 C7 C6 . . 119.87(9) ?
    O2 C7 C6 . . 119.10(9) ?
    O3 C7 Ca1 . 5_665 57.93(5) ?
    O2 C7 Ca1 . 5_665 64.97(5) ?
    C6 C7 Ca1 . 5_665 164.70(7) ?
    O3 C7 Sr1 . 5_665 57.93(5) ?
    O2 C7 Sr1 . 5_665 64.97(5) ?
    C6 C7 Sr1 . 5_665 164.70(7) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.05(9) ?
    C6 C1 C2 C3 . . . . 3.26(15) ?
    C1 C2 C3 C4 . . . . -1.53(16) ?
    C2 C3 C4 C5 . . . . -0.95(17) ?
    C3 C4 C5 C6 . . . . 1.72(17) ?
    O1 C1 C6 C5 . . . . 177.84(9) ?
    C2 C1 C6 C5 . . . . -2.49(15) ?
    O1 C1 C6 C7 . . . . -1.91(14) ?
    C2 C1 C6 C7 . . . . 177.76(9) ?
    C4 C5 C6 C1 . . . . -0.02(15) ?
    C4 C5 C6 C7 . . . . 179.73(10) ?
    Sr1 O3 C7 O2 . . . . -134.61(11) ?
    Ca1 O3 C7 O2 5_665 . . . 16.41(10) ?
    Sr1 O3 C7 O2 5_665 . . . 16.41(10) ?
    Sr1 O3 C7 C6 . . . . 46.66(18) ?
    Ca1 O3 C7 C6 5_665 . . . -162.32(7) ?
    Sr1 O3 C7 C6 5_665 . . . -162.32(7) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -151.02(14) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -151.02(14) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -15.32(9) ?
    Sr1 O2 C7 O3 5_665 . . . -15.32(9) ?
    Ca1 O2 C7 C6 5_665 . . . 163.42(8) ?
    Sr1 O2 C7 C6 5_665 . . . 163.42(8) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C1 C6 C7 O3 . . . . -159.70(9) ?
    C5 C6 C7 O3 . . . . 20.55(14) ?
    C1 C6 C7 O2 . . . . 21.55(14) ?
    C5 C6 C7 O2 . . . . -158.20(10) ?
    C1 C6 C7 Ca1 . . . 5_665 123.1(2) ?
    C5 C6 C7 Ca1 . . . 5_665 -56.7(3) ?
    C1 C6 C7 Sr1 . . . 5_665 123.1(2) ?
    C5 C6 C7 Sr1 . . . 5_665 -56.7(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.872(18) 1.842(19) 2.6204(10) 147.6(16)
    O1W H1W O1 7 0.864(19) 1.981(19) 2.8361(11) 169.8(16)
    O1W H2W O2 1_554 0.853(18) 2.043(18) 2.8820(11) 167.6(15)
data_CaSr8020
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.92 O8 Sr0.08'
_chemical_formula_sum     'C14 H14 Ca0.92 O8 Sr0.08'
_chemical_formula_iupac     '[Ca0.92 Sr0.08 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     354.25
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.4344(3)
_cell_length_b     11.4853(2)
_cell_length_c     7.6417(2)
_cell_angle_alpha     90
_cell_angle_beta     91.785(2)
_cell_angle_gamma     90
_cell_volume     1441.70(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     11379
_cell_measurement_theta_min     3.3980
_cell_measurement_theta_max     30.4331
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.632
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     734
_exptl_absorpt_coefficient_mu     0.750
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.80152
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     16552
_diffrn_reflns_av_R_equivalents     0.0304
_diffrn_reflns_theta_min     3.405
_diffrn_reflns_theta_max     27.499
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1642
_reflns_number_gt     1568
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0224
_refine_ls_R_factor_gt     0.0211
_refine_ls_wR_factor_gt     0.0524
_refine_ls_wR_factor_ref     0.0530
_refine_ls_goodness_of_fit_ref     1.080
_refine_ls_restrained_S_all     1.080
_refine_ls_number_reflns     1642
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0238P)²+1.0809P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.306
_refine_diff_density_min     -0.230
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44923(2) -0.2500 0.01030(10) Uani d 0.083(2) . .
    Ca Ca1 0.5000 0.44923(2) -0.2500 0.01030(10) Uani d 0.917(2) . .
    O O1 0.25630(5) 0.25391(7) 0.26823(11) 0.01854(19) Uani d 1 . .
    O O2 0.37832(5) 0.40026(7) 0.26855(10) 0.01658(18) Uani d 1 . .
    O O3 0.45479(5) 0.39771(7) 0.03630(10) 0.01642(18) Uani d 1 . .
    O O1W 0.39865(5) 0.32276(8) -0.37365(12) 0.0213(2) Uani d 1 . .
    C C1 0.30175(6) 0.18861(9) 0.15851(13) 0.0141(2) Uani d 1 . .
    C C2 0.27301(7) 0.07823(10) 0.11382(14) 0.0183(2) Uani d 1 . .
    H H2 0.2222 0.0519 0.1549 0.022 Uiso calc 1 . .
    C C3 0.31889(8) 0.00733(10) 0.00931(15) 0.0214(3) Uani d 1 . .
    H H3 0.2998 -0.0687 -0.0191 0.026 Uiso calc 1 . .
    C C4 0.39251(8) 0.04538(10) -0.05506(16) 0.0215(3) Uani d 1 . .
    H H4 0.4240 -0.0047 -0.1251 0.026 Uiso calc 1 . .
    C C5 0.41944(7) 0.15671(10) -0.01621(14) 0.0171(2) Uani d 1 . .
    H H5 0.4689 0.1839 -0.0627 0.021 Uiso calc 1 . .
    C C6 0.37448(6) 0.22991(9) 0.09118(13) 0.0133(2) Uani d 1 . .
    C C7 0.40395(6) 0.34932(9) 0.13318(13) 0.0129(2) Uani d 1 . .
    H H1O 0.2813(11) 0.3191(16) 0.288(2) 0.039(5) Uiso d 1 . .
    H H1W 0.3551(12) 0.2915(16) -0.339(2) 0.043(5) Uiso d 1 . .
    H H2W 0.3914(11) 0.3337(15) -0.481(3) 0.043(5) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O1W 2_654 2.3830(9) ?
    Sr1 O1W . 2.3830(9) ?
    Sr1 O3 . 2.4062(8) ?
    Sr1 O3 2_654 2.4062(8) ?
    Sr1 O3 5_665 2.4968(8) ?
    Sr1 O3 6_565 2.4968(8) ?
    Sr1 O2 5_665 2.6506(8) ?
    Sr1 O2 6_565 2.6506(8) ?
    Sr1 C7 5_665 2.9247(11) ?
    Sr1 C7 6_565 2.9247(11) ?
    Sr1 Sr1 5_665 3.99489(18) ?
    Sr1 Ca1 5_665 3.99489(18) ?
    Sr1 H2W . 2.805(18) ?
    O1 C1 . 1.3647(13) ?
    O1 H1O . 0.865(18) ?
    O2 C7 . 1.2716(13) ?
    O2 Ca1 5_665 2.6505(8) ?
    O2 Sr1 5_665 2.6505(8) ?
    O3 C7 . 1.2624(13) ?
    O3 Ca1 5_665 2.4968(8) ?
    O3 Sr1 5_665 2.4968(8) ?
    O1W H1W . 0.85(2) ?
    O1W H2W . 0.836(19) ?
    C1 C2 . 1.3917(15) ?
    C1 C6 . 1.3989(15) ?
    C2 C3 . 1.3809(17) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.3907(17) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.3824(16) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.4015(15) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.4862(14) ?
    C7 Ca1 5_665 2.9247(11) ?
    C7 Sr1 5_665 2.9247(11) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Sr1 O1W 2_654 . 104.89(5) ?
    O1W Sr1 O3 2_654 . 73.82(3) ?
    O1W Sr1 O3 . . 88.79(3) ?
    O1W Sr1 O3 2_654 2_654 88.79(3) ?
    O1W Sr1 O3 . 2_654 73.82(3) ?
    O3 Sr1 O3 . 2_654 151.53(4) ?
    O1W Sr1 O3 2_654 5_665 88.84(3) ?
    O1W Sr1 O3 . 5_665 151.47(3) ?
    O3 Sr1 O3 . 5_665 70.88(3) ?
    O3 Sr1 O3 2_654 5_665 132.36(3) ?
    O1W Sr1 O3 2_654 6_565 151.47(3) ?
    O1W Sr1 O3 . 6_565 88.84(3) ?
    O3 Sr1 O3 . 6_565 132.36(3) ?
    O3 Sr1 O3 2_654 6_565 70.88(3) ?
    O3 Sr1 O3 5_665 6_565 90.48(4) ?
    O1W Sr1 O2 2_654 5_665 84.24(3) ?
    O1W Sr1 O2 . 5_665 153.57(3) ?
    O3 Sr1 O2 . 5_665 117.64(2) ?
    O3 Sr1 O2 2_654 5_665 81.77(2) ?
    O3 Sr1 O2 5_665 5_665 50.66(2) ?
    O3 Sr1 O2 6_565 5_665 73.47(3) ?
    O1W Sr1 O2 2_654 6_565 153.57(3) ?
    O1W Sr1 O2 . 6_565 84.24(3) ?
    O3 Sr1 O2 . 6_565 81.77(2) ?
    O3 Sr1 O2 2_654 6_565 117.64(2) ?
    O3 Sr1 O2 5_665 6_565 73.47(3) ?
    O3 Sr1 O2 6_565 6_565 50.66(2) ?
    O2 Sr1 O2 5_665 6_565 98.58(3) ?
    O1W Sr1 C7 2_654 5_665 89.84(3) ?
    O1W Sr1 C7 . 5_665 165.27(3) ?
    O3 Sr1 C7 . 5_665 95.51(3) ?
    O3 Sr1 C7 2_654 5_665 107.04(3) ?
    O3 Sr1 C7 5_665 5_665 25.39(3) ?
    O3 Sr1 C7 6_565 5_665 77.84(3) ?
    O2 Sr1 C7 5_665 5_665 25.77(3) ?
    O2 Sr1 C7 6_565 5_665 82.45(3) ?
    O1W Sr1 C7 2_654 6_565 165.27(3) ?
    O1W Sr1 C7 . 6_565 89.84(3) ?
    O3 Sr1 C7 . 6_565 107.04(3) ?
    O3 Sr1 C7 2_654 6_565 95.51(3) ?
    O3 Sr1 C7 5_665 6_565 77.84(3) ?
    O3 Sr1 C7 6_565 6_565 25.39(3) ?
    O2 Sr1 C7 5_665 6_565 82.45(3) ?
    O2 Sr1 C7 6_565 6_565 25.77(3) ?
    C7 Sr1 C7 5_665 6_565 75.42(4) ?
    O1W Sr1 Sr1 2_654 5_665 79.60(2) ?
    O1W Sr1 Sr1 . 5_665 122.44(2) ?
    O3 Sr1 Sr1 . 5_665 36.194(18) ?
    O3 Sr1 Sr1 2_654 5_665 161.916(19) ?
    O3 Sr1 Sr1 5_665 5_665 34.688(17) ?
    O3 Sr1 Sr1 6_565 5_665 114.28(2) ?
    O2 Sr1 Sr1 5_665 5_665 83.294(17) ?
    O2 Sr1 Sr1 6_565 5_665 74.689(17) ?
    C7 Sr1 Sr1 5_665 5_665 59.55(2) ?
    C7 Sr1 Sr1 6_565 5_665 92.57(2) ?
    O1W Sr1 Ca1 2_654 5_665 79.60(2) ?
    O1W Sr1 Ca1 . 5_665 122.44(2) ?
    O3 Sr1 Ca1 . 5_665 36.194(18) ?
    O3 Sr1 Ca1 2_654 5_665 161.916(19) ?
    O3 Sr1 Ca1 5_665 5_665 34.688(17) ?
    O3 Sr1 Ca1 6_565 5_665 114.28(2) ?
    O2 Sr1 Ca1 5_665 5_665 83.294(17) ?
    O2 Sr1 Ca1 6_565 5_665 74.689(17) ?
    C7 Sr1 Ca1 5_665 5_665 59.55(2) ?
    C7 Sr1 Ca1 6_565 5_665 92.57(2) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.000(7) ?
    O1W Sr1 H2W 2_654 . 112.6(4) ?
    O1W Sr1 H2W . . 16.0(4) ?
    O3 Sr1 H2W . . 104.4(4) ?
    O3 Sr1 H2W 2_654 . 61.3(4) ?
    O3 Sr1 H2W 5_665 . 156.3(4) ?
    O3 Sr1 H2W 6_565 . 75.6(4) ?
    O2 Sr1 H2W 5_665 . 137.8(4) ?
    O2 Sr1 H2W 6_565 . 82.9(4) ?
    C7 Sr1 H2W 5_665 . 153.3(4) ?
    C7 Sr1 H2W 6_565 . 81.7(4) ?
    Sr1 Sr1 H2W 5_665 . 136.2(4) ?
    Ca1 Sr1 H2W 5_665 . 136.2(4) ?
    C1 O1 H1O . . 108.5(12) ?
    C7 O2 Ca1 . 5_665 89.25(6) ?
    C7 O2 Sr1 . 5_665 89.25(6) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 150.49(7) ?
    C7 O3 Ca1 . 5_665 96.62(6) ?
    Sr1 O3 Ca1 . 5_665 109.1 ?
    C7 O3 Sr1 . 5_665 96.62(6) ?
    Sr1 O3 Sr1 . 5_665 109.12(3) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 136.1(12) ?
    Sr1 O1W H2W . . 112.0(12) ?
    H1W O1W H2W . . 105.8(16) ?
    O1 C1 C2 . . 117.60(10) ?
    O1 C1 C6 . . 122.00(9) ?
    C2 C1 C6 . . 120.40(10) ?
    C3 C2 C1 . . 119.46(10) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.07(10) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.40(11) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.63(10) ?
    C4 C5 H5 . . 119.7 ?
    C6 C5 H5 . . 119.7 ?
    C1 C6 C5 . . 118.95(10) ?
    C1 C6 C7 . . 120.66(9) ?
    C5 C6 C7 . . 120.39(9) ?
    O3 C7 O2 . . 121.11(10) ?
    O3 C7 C6 . . 119.79(9) ?
    O2 C7 C6 . . 119.09(9) ?
    O3 C7 Ca1 . 5_665 57.99(5) ?
    O2 C7 Ca1 . 5_665 64.98(5) ?
    C6 C7 Ca1 . 5_665 164.81(7) ?
    O3 C7 Sr1 . 5_665 57.99(5) ?
    O2 C7 Sr1 . 5_665 64.98(5) ?
    C6 C7 Sr1 . 5_665 164.81(7) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.19(10) ?
    C6 C1 C2 C3 . . . . 3.20(16) ?
    C1 C2 C3 C4 . . . . -1.38(17) ?
    C2 C3 C4 C5 . . . . -1.13(18) ?
    C3 C4 C5 C6 . . . . 1.85(17) ?
    O1 C1 C6 C5 . . . . 177.92(10) ?
    C2 C1 C6 C5 . . . . -2.49(15) ?
    O1 C1 C6 C7 . . . . -1.84(15) ?
    C2 C1 C6 C7 . . . . 177.75(9) ?
    C4 C5 C6 C1 . . . . -0.05(16) ?
    C4 C5 C6 C7 . . . . 179.71(10) ?
    Sr1 O3 C7 O2 . . . . -134.65(12) ?
    Ca1 O3 C7 O2 5_665 . . . 16.32(11) ?
    Sr1 O3 C7 O2 5_665 . . . 16.32(11) ?
    Sr1 O3 C7 C6 . . . . 46.55(19) ?
    Ca1 O3 C7 C6 5_665 . . . -162.47(8) ?
    Sr1 O3 C7 C6 5_665 . . . -162.47(8) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -150.97(15) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -150.97(15) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -15.25(10) ?
    Sr1 O2 C7 O3 5_665 . . . -15.25(10) ?
    Ca1 O2 C7 C6 5_665 . . . 163.56(8) ?
    Sr1 O2 C7 C6 5_665 . . . 163.56(8) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C1 C6 C7 O3 . . . . -159.75(10) ?
    C5 C6 C7 O3 . . . . 20.50(15) ?
    C1 C6 C7 O2 . . . . 21.43(15) ?
    C5 C6 C7 O2 . . . . -158.32(10) ?
    C1 C6 C7 Ca1 . . . 5_665 123.1(3) ?
    C5 C6 C7 Ca1 . . . 5_665 -56.6(3) ?
    C1 C6 C7 Sr1 . . . 5_665 123.1(3) ?
    C5 C6 C7 Sr1 . . . 5_665 -56.6(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.865(18) 1.857(18) 2.6165(11) 145.5(16)
    O1W H1W O1 7 0.85(2) 2.00(2) 2.8350(11) 169.7(17)
    O1W H2W O2 1_554 0.836(19) 2.06(2) 2.8849(12) 166.8(17)
data_CaSr7030
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.83 O8 Sr0.17'
_chemical_formula_sum     'C14 H14 Ca0.83 O8 Sr0.17'
_chemical_formula_iupac     '[Ca0.83 Sr0.17 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     358.18
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.4921(10)
_cell_length_b     11.5345(8)
_cell_length_c     7.6679(5)
_cell_angle_alpha     90
_cell_angle_beta     91.838(6)
_cell_angle_gamma     90
_cell_volume     1457.90(16)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2211
_cell_measurement_theta_min     3.3848
_cell_measurement_theta_max     30.0705
_cell_measurement_temperature     150(2)
_exptl_crystal_description     'cut prism'
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.26
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.632
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     740
_exptl_absorpt_coefficient_mu     1.011
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.89574
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     3241
_diffrn_reflns_av_R_equivalents     0.0324
_diffrn_reflns_theta_min     3.392
_diffrn_reflns_theta_max     27.494
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     18
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1659
_reflns_number_gt     1494
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0418
_refine_ls_R_factor_gt     0.0364
_refine_ls_wR_factor_gt     0.0861
_refine_ls_wR_factor_ref     0.0930
_refine_ls_goodness_of_fit_ref     1.086
_refine_ls_restrained_S_all     1.086
_refine_ls_number_reflns     1659
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0457P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.367
_refine_diff_density_min     -0.377
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44817(4) -0.2500 0.01289(17) Uani d 0.165(3) . .
    Ca Ca1 0.5000 0.44817(4) -0.2500 0.01289(17) Uani d 0.835(3) . .
    O O1 0.25637(7) 0.25373(13) 0.26791(18) 0.0219(3) Uani d 1 . .
    O O2 0.37813(7) 0.39984(12) 0.26805(17) 0.0196(3) Uani d 1 . .
    O O3 0.45477(7) 0.39682(12) 0.03736(17) 0.0205(3) Uani d 1 . .
    O O1W 0.39825(8) 0.32205(14) -0.3747(2) 0.0264(4) Uani d 1 . .
    C C1 0.30155(10) 0.18853(17) 0.1580(2) 0.0176(4) Uani d 1 . .
    C C2 0.27293(11) 0.07830(19) 0.1139(2) 0.0217(4) Uani d 1 . .
    H H2 0.2225 0.0520 0.1553 0.026 Uiso calc 1 . .
    C C3 0.31847(12) 0.00760(18) 0.0095(3) 0.0238(5) Uani d 1 . .
    H H3 0.2993 -0.0680 -0.0189 0.029 Uiso calc 1 . .
    C C4 0.39199(13) 0.04538(18) -0.0547(3) 0.0248(5) Uani d 1 . .
    H H4 0.4233 -0.0044 -0.1247 0.030 Uiso calc 1 . .
    C C5 0.41889(11) 0.15622(17) -0.0154(2) 0.0203(4) Uani d 1 . .
    H H5 0.4683 0.1830 -0.0615 0.024 Uiso calc 1 . .
    C C6 0.37431(10) 0.22961(17) 0.0915(2) 0.0162(4) Uani d 1 . .
    C C7 0.40362(10) 0.34874(16) 0.1336(2) 0.0158(4) Uani d 1 . .
    H H1O 0.2801(18) 0.321(3) 0.280(4) 0.056(9) Uiso d 1 . .
    H H1W 0.3554(16) 0.290(2) -0.331(3) 0.046(8) Uiso d 1 . .
    H H2W 0.3898(16) 0.329(2) -0.486(4) 0.046(8) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O1W . 2.3968(15) ?
    Sr1 O1W 2_654 2.3968(15) ?
    Sr1 O3 . 2.4224(13) ?
    Sr1 O3 2_654 2.4224(13) ?
    Sr1 O3 5_665 2.5166(14) ?
    Sr1 O3 6_565 2.5166(14) ?
    Sr1 O2 5_665 2.6739(13) ?
    Sr1 O2 6_565 2.6739(13) ?
    Sr1 C7 5_665 2.9529(19) ?
    Sr1 C7 6_565 2.9529(19) ?
    Sr1 Sr1 5_665 4.0160(4) ?
    Sr1 Ca1 5_665 4.0160(4) ?
    Sr1 H2W . 2.87(3) ?
    O1 C1 . 1.368(2) ?
    O1 H1O . 0.87(3) ?
    O2 C7 . 1.271(2) ?
    O2 Ca1 5_665 2.6740(13) ?
    O2 Sr1 5_665 2.6740(13) ?
    O3 C7 . 1.266(2) ?
    O3 Ca1 5_665 2.5166(14) ?
    O3 Sr1 5_665 2.5166(14) ?
    O1W H1W . 0.87(3) ?
    O1W H2W . 0.86(3) ?
    C1 C2 . 1.394(3) ?
    C1 C6 . 1.401(2) ?
    C2 C3 . 1.381(3) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.393(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.383(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.403(3) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.489(3) ?
    C7 Ca1 5_665 2.9529(19) ?
    C7 Sr1 5_665 2.9529(19) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Sr1 O1W . 2_654 105.26(8) ?
    O1W Sr1 O3 . . 89.00(5) ?
    O1W Sr1 O3 2_654 . 73.78(5) ?
    O1W Sr1 O3 . 2_654 73.78(5) ?
    O1W Sr1 O3 2_654 2_654 89.00(5) ?
    O3 Sr1 O3 . 2_654 151.69(7) ?
    O1W Sr1 O3 . 5_665 151.52(4) ?
    O1W Sr1 O3 2_654 5_665 89.05(5) ?
    O3 Sr1 O3 . 5_665 71.21(5) ?
    O3 Sr1 O3 2_654 5_665 132.03(5) ?
    O1W Sr1 O3 . 6_565 89.05(5) ?
    O1W Sr1 O3 2_654 6_565 151.52(5) ?
    O3 Sr1 O3 . 6_565 132.03(5) ?
    O3 Sr1 O3 2_654 6_565 71.21(5) ?
    O3 Sr1 O3 5_665 6_565 89.46(7) ?
    O1W Sr1 O2 . 5_665 153.52(5) ?
    O1W Sr1 O2 2_654 5_665 84.31(5) ?
    O3 Sr1 O2 . 5_665 117.47(4) ?
    O3 Sr1 O2 2_654 5_665 81.91(4) ?
    O3 Sr1 O2 5_665 5_665 50.21(4) ?
    O3 Sr1 O2 6_565 5_665 73.04(4) ?
    O1W Sr1 O2 . 6_565 84.31(5) ?
    O1W Sr1 O2 2_654 6_565 153.52(5) ?
    O3 Sr1 O2 . 6_565 81.91(4) ?
    O3 Sr1 O2 2_654 6_565 117.47(4) ?
    O3 Sr1 O2 5_665 6_565 73.04(4) ?
    O3 Sr1 O2 6_565 6_565 50.21(4) ?
    O2 Sr1 O2 5_665 6_565 98.07(6) ?
    O1W Sr1 C7 . 5_665 164.87(5) ?
    O1W Sr1 C7 2_654 5_665 89.87(5) ?
    O3 Sr1 C7 . 5_665 95.59(5) ?
    O3 Sr1 C7 2_654 5_665 106.89(5) ?
    O3 Sr1 C7 5_665 5_665 25.19(4) ?
    O3 Sr1 C7 6_565 5_665 77.16(5) ?
    O2 Sr1 C7 5_665 5_665 25.49(4) ?
    O2 Sr1 C7 6_565 5_665 82.09(5) ?
    O1W Sr1 C7 . 6_565 89.87(5) ?
    O1W Sr1 C7 2_654 6_565 164.87(5) ?
    O3 Sr1 C7 . 6_565 106.89(5) ?
    O3 Sr1 C7 2_654 6_565 95.60(5) ?
    O3 Sr1 C7 5_665 6_565 77.16(5) ?
    O3 Sr1 C7 6_565 6_565 25.19(4) ?
    O2 Sr1 C7 5_665 6_565 82.09(5) ?
    O2 Sr1 C7 6_565 6_565 25.49(4) ?
    C7 Sr1 C7 5_665 6_565 75.01(7) ?
    O1W Sr1 Sr1 . 5_665 122.70(4) ?
    O1W Sr1 Sr1 2_654 5_665 79.70(4) ?
    O3 Sr1 Sr1 . 5_665 36.39(3) ?
    O3 Sr1 Sr1 2_654 5_665 161.92(3) ?
    O3 Sr1 Sr1 5_665 5_665 34.82(3) ?
    O3 Sr1 Sr1 6_565 5_665 113.45(4) ?
    O2 Sr1 Sr1 5_665 5_665 82.95(3) ?
    O2 Sr1 Sr1 6_565 5_665 74.48(3) ?
    C7 Sr1 Sr1 5_665 5_665 59.45(4) ?
    C7 Sr1 Sr1 6_565 5_665 92.06(4) ?
    O1W Sr1 Ca1 . 5_665 122.70(4) ?
    O1W Sr1 Ca1 2_654 5_665 79.70(4) ?
    O3 Sr1 Ca1 . 5_665 36.39(3) ?
    O3 Sr1 Ca1 2_654 5_665 161.92(3) ?
    O3 Sr1 Ca1 5_665 5_665 34.82(3) ?
    O3 Sr1 Ca1 6_565 5_665 113.45(4) ?
    O2 Sr1 Ca1 5_665 5_665 82.95(3) ?
    O2 Sr1 Ca1 6_565 5_665 74.48(3) ?
    C7 Sr1 Ca1 5_665 5_665 59.45(4) ?
    C7 Sr1 Ca1 6_565 5_665 92.06(4) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.0 ?
    O1W Sr1 H2W . . 15.7(6) ?
    O1W Sr1 H2W 2_654 . 112.4(6) ?
    O3 Sr1 H2W . . 104.4(6) ?
    O3 Sr1 H2W 2_654 . 61.2(5) ?
    O3 Sr1 H2W 5_665 . 156.4(6) ?
    O3 Sr1 H2W 6_565 . 76.4(6) ?
    O2 Sr1 H2W 5_665 . 138.0(6) ?
    O2 Sr1 H2W 6_565 . 83.4(6) ?
    C7 Sr1 H2W 5_665 . 153.4(6) ?
    C7 Sr1 H2W 6_565 . 82.3(6) ?
    Sr1 Sr1 H2W 5_665 . 136.4(5) ?
    Ca1 Sr1 H2W 5_665 . 136.4(5) ?
    C1 O1 H1O . . 107.5(19) ?
    C7 O2 Ca1 . 5_665 89.62(10) ?
    C7 O2 Sr1 . 5_665 89.62(10) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 150.16(12) ?
    C7 O3 Ca1 . 5_665 97.05(11) ?
    Sr1 O3 Ca1 . 5_665 108.8 ?
    C7 O3 Sr1 . 5_665 97.05(11) ?
    Sr1 O3 Sr1 . 5_665 108.79(5) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 132.2(17) ?
    Sr1 O1W H2W . . 115.4(18) ?
    H1W O1W H2W . . 108(2) ?
    O1 C1 C2 . . 117.64(16) ?
    O1 C1 C6 . . 121.87(17) ?
    C2 C1 C6 . . 120.48(18) ?
    C3 C2 C1 . . 119.53(17) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 121.04(19) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.26(19) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 120.96(17) ?
    C4 C5 H5 . . 119.5 ?
    C6 C5 H5 . . 119.5 ?
    C1 C6 C5 . . 118.66(17) ?
    C1 C6 C7 . . 120.61(16) ?
    C5 C6 C7 . . 120.73(16) ?
    O3 C7 O2 . . 120.89(17) ?
    O3 C7 C6 . . 119.73(16) ?
    O2 C7 C6 . . 119.36(15) ?
    O3 C7 Ca1 . 5_665 57.76(9) ?
    O2 C7 Ca1 . 5_665 64.89(9) ?
    C6 C7 Ca1 . 5_665 164.95(11) ?
    O3 C7 Sr1 . 5_665 57.76(9) ?
    O2 C7 Sr1 . 5_665 64.89(9) ?
    C6 C7 Sr1 . 5_665 164.95(11) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.15(17) ?
    C6 C1 C2 C3 . . . . 2.6(3) ?
    C1 C2 C3 C4 . . . . -1.0(3) ?
    C2 C3 C4 C5 . . . . -1.1(3) ?
    C3 C4 C5 C6 . . . . 1.7(3) ?
    O1 C1 C6 C5 . . . . 177.71(16) ?
    C2 C1 C6 C5 . . . . -2.0(3) ?
    O1 C1 C6 C7 . . . . -2.3(3) ?
    C2 C1 C6 C7 . . . . 177.94(16) ?
    C4 C5 C6 C1 . . . . -0.1(3) ?
    C4 C5 C6 C7 . . . . 179.91(17) ?
    Sr1 O3 C7 O2 . . . . -134.4(2) ?
    Ca1 O3 C7 O2 5_665 . . . 15.83(17) ?
    Sr1 O3 C7 O2 5_665 . . . 15.83(17) ?
    Sr1 O3 C7 C6 . . . . 47.1(3) ?
    Ca1 O3 C7 C6 5_665 . . . -162.68(13) ?
    Sr1 O3 C7 C6 5_665 . . . -162.68(13) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -150.2(3) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -150.2(3) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -14.77(16) ?
    Sr1 O2 C7 O3 5_665 . . . -14.77(16) ?
    Ca1 O2 C7 C6 5_665 . . . 163.75(14) ?
    Sr1 O2 C7 C6 5_665 . . . 163.75(14) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C1 C6 C7 O3 . . . . -159.89(17) ?
    C5 C6 C7 O3 . . . . 20.1(3) ?
    C1 C6 C7 O2 . . . . 21.6(3) ?
    C5 C6 C7 O2 . . . . -158.43(17) ?
    C1 C6 C7 Ca1 . . . 5_665 124.1(4) ?
    C5 C6 C7 Ca1 . . . 5_665 -55.9(5) ?
    C1 C6 C7 Sr1 . . . 5_665 124.1(4) ?
    C5 C6 C7 Sr1 . . . 5_665 -55.9(5) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.87(3) 1.86(3) 2.6216(18) 145(3)
    O1W H1W O1 7 0.87(3) 1.99(3) 2.8409(19) 166(3)
    O1W H2W O2 1_554 0.86(3) 2.06(3) 2.891(2) 161(3)
data_CaSr6040
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.69 O8 Sr0.31'
_chemical_formula_sum     'C14 H14 Ca0.69 O8 Sr0.31'
_chemical_formula_iupac     '[Ca0.69 Sr0.31 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     364.90
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.5626(13)
_cell_length_b     11.4921(10)
_cell_length_c     7.7041(7)
_cell_angle_alpha     90
_cell_angle_beta     91.588(8)
_cell_angle_gamma     90
_cell_volume     1465.8(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5800
_cell_measurement_theta_min     3.3806
_cell_measurement_theta_max     28.9308
_cell_measurement_temperature     150(2)
_exptl_crystal_description     'cut prism'
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.653
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     750
_exptl_absorpt_coefficient_mu     1.465
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.84499
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9041
_diffrn_reflns_av_R_equivalents     0.0347
_diffrn_reflns_theta_min     3.387
_diffrn_reflns_theta_max     27.498
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.989
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1656
_reflns_number_gt     1576
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0257
_refine_ls_R_factor_gt     0.0238
_refine_ls_wR_factor_gt     0.0550
_refine_ls_wR_factor_ref     0.0559
_refine_ls_goodness_of_fit_ref     1.107
_refine_ls_restrained_S_all     1.107
_refine_ls_number_reflns     1656
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0227P)²+0.9652P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.278
_refine_diff_density_min     -0.204
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44698(2) -0.2500 0.01216(10) Uani d 0.306(3) . .
    Ca Ca1 0.5000 0.44698(2) -0.2500 0.01216(10) Uani d 0.694(3) . .
    O O1 0.25637(6) 0.25381(9) 0.26752(13) 0.0210(2) Uani d 1 . .
    O O2 0.37777(6) 0.39961(8) 0.26740(13) 0.0196(2) Uani d 1 . .
    O O3 0.45477(6) 0.39600(8) 0.03791(13) 0.0201(2) Uani d 1 . .
    O O1W 0.39752(7) 0.32033(10) -0.37681(16) 0.0260(3) Uani d 1 . .
    C C1 0.30144(8) 0.18819(12) 0.15846(17) 0.0160(3) Uani d 1 . .
    C C2 0.27255(9) 0.07810(12) 0.11375(19) 0.0201(3) Uani d 1 . .
    H H2 0.2220 0.0521 0.1544 0.024 Uiso calc 1 . .
    C C3 0.31787(10) 0.00708(13) 0.00995(19) 0.0238(3) Uani d 1 . .
    H H3 0.2988 -0.0687 -0.0182 0.029 Uiso calc 1 . .
    C C4 0.39121(9) 0.04474(13) -0.0543(2) 0.0237(3) Uani d 1 . .
    H H4 0.4222 -0.0052 -0.1246 0.028 Uiso calc 1 . .
    C C5 0.41838(9) 0.15549(12) -0.01466(19) 0.0196(3) Uani d 1 . .
    H H5 0.4678 0.1821 -0.0603 0.023 Uiso calc 1 . .
    C C6 0.37401(8) 0.22901(12) 0.09187(17) 0.0152(3) Uani d 1 . .
    C C7 0.40357(8) 0.34819(11) 0.13391(18) 0.0152(3) Uani d 1 . .
    H H1O 0.2827(13) 0.3191(19) 0.284(3) 0.049(6) Uiso d 1 . .
    H H1W 0.3521(15) 0.290(2) -0.337(3) 0.062(7) Uiso d 1 . .
    H H2W 0.3920(12) 0.3345(18) -0.490(3) 0.046(6) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O1W 2_654 2.4211(11) ?
    Sr1 O1W . 2.4211(11) ?
    Sr1 O3 . 2.4324(10) ?
    Sr1 O3 2_654 2.4324(10) ?
    Sr1 O3 5_665 2.5336(10) ?
    Sr1 O3 6_565 2.5336(10) ?
    Sr1 O2 5_665 2.6907(10) ?
    Sr1 O2 6_565 2.6907(10) ?
    Sr1 C7 5_665 2.9686(13) ?
    Sr1 C7 6_565 2.9686(13) ?
    Sr1 Sr1 5_665 4.0402(4) ?
    Sr1 Ca1 5_665 4.0402(4) ?
    Sr1 H2W . 2.85(2) ?
    O1 C1 . 1.3662(17) ?
    O1 H1O . 0.87(2) ?
    O2 C7 . 1.2703(17) ?
    O2 Ca1 5_665 2.6906(10) ?
    O2 Sr1 5_665 2.6906(10) ?
    O3 C7 . 1.2660(16) ?
    O3 Ca1 5_665 2.5336(10) ?
    O3 Sr1 5_665 2.5336(10) ?
    O1W H1W . 0.89(3) ?
    O1W H2W . 0.89(2) ?
    C1 C2 . 1.3925(19) ?
    C1 C6 . 1.4008(19) ?
    C2 C3 . 1.379(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.393(2) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.381(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.4002(19) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.4872(18) ?
    C7 Ca1 5_665 2.9686(13) ?
    C7 Sr1 5_665 2.9686(13) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Sr1 O1W 2_654 . 106.09(6) ?
    O1W Sr1 O3 2_654 . 73.59(4) ?
    O1W Sr1 O3 . . 89.60(4) ?
    O1W Sr1 O3 2_654 2_654 89.60(4) ?
    O1W Sr1 O3 . 2_654 73.59(4) ?
    O3 Sr1 O3 . 2_654 152.13(5) ?
    O1W Sr1 O3 2_654 5_665 88.65(4) ?
    O1W Sr1 O3 . 5_665 151.62(4) ?
    O3 Sr1 O3 . 5_665 71.12(4) ?
    O3 Sr1 O3 2_654 5_665 131.81(3) ?
    O1W Sr1 O3 2_654 6_565 151.62(4) ?
    O1W Sr1 O3 . 6_565 88.65(4) ?
    O3 Sr1 O3 . 6_565 131.81(3) ?
    O3 Sr1 O3 2_654 6_565 71.12(4) ?
    O3 Sr1 O3 5_665 6_565 89.17(5) ?
    O1W Sr1 O2 2_654 5_665 83.91(3) ?
    O1W Sr1 O2 . 5_665 153.36(4) ?
    O3 Sr1 O2 . 5_665 117.03(3) ?
    O3 Sr1 O2 2_654 5_665 82.02(3) ?
    O3 Sr1 O2 5_665 5_665 49.91(3) ?
    O3 Sr1 O2 6_565 5_665 73.18(3) ?
    O1W Sr1 O2 2_654 6_565 153.36(4) ?
    O1W Sr1 O2 . 6_565 83.92(3) ?
    O3 Sr1 O2 . 6_565 82.02(3) ?
    O3 Sr1 O2 2_654 6_565 117.03(3) ?
    O3 Sr1 O2 5_665 6_565 73.18(3) ?
    O3 Sr1 O2 6_565 6_565 49.91(3) ?
    O2 Sr1 O2 5_665 6_565 98.12(4) ?
    O1W Sr1 C7 2_654 5_665 89.42(4) ?
    O1W Sr1 C7 . 5_665 164.48(4) ?
    O3 Sr1 C7 . 5_665 95.33(3) ?
    O3 Sr1 C7 2_654 5_665 106.80(4) ?
    O3 Sr1 C7 5_665 5_665 25.04(3) ?
    O3 Sr1 C7 6_565 5_665 77.09(4) ?
    O2 Sr1 C7 5_665 5_665 25.34(3) ?
    O2 Sr1 C7 6_565 5_665 82.22(3) ?
    O1W Sr1 C7 2_654 6_565 164.48(4) ?
    O1W Sr1 C7 . 6_565 89.42(4) ?
    O3 Sr1 C7 . 6_565 106.80(4) ?
    O3 Sr1 C7 2_654 6_565 95.33(4) ?
    O3 Sr1 C7 5_665 6_565 77.09(4) ?
    O3 Sr1 C7 6_565 6_565 25.04(3) ?
    O2 Sr1 C7 5_665 6_565 82.22(3) ?
    O2 Sr1 C7 6_565 6_565 25.34(3) ?
    C7 Sr1 C7 5_665 6_565 75.08(5) ?
    O1W Sr1 Sr1 2_654 5_665 79.35(3) ?
    O1W Sr1 Sr1 . 5_665 123.20(3) ?
    O3 Sr1 Sr1 . 5_665 36.40(2) ?
    O3 Sr1 Sr1 2_654 5_665 161.85(2) ?
    O3 Sr1 Sr1 5_665 5_665 34.73(2) ?
    O3 Sr1 Sr1 6_565 5_665 113.09(3) ?
    O2 Sr1 Sr1 5_665 5_665 82.52(2) ?
    O2 Sr1 Sr1 6_565 5_665 74.63(2) ?
    C7 Sr1 Sr1 5_665 5_665 59.19(3) ?
    C7 Sr1 Sr1 6_565 5_665 91.94(3) ?
    O1W Sr1 Ca1 2_654 5_665 79.35(3) ?
    O1W Sr1 Ca1 . 5_665 123.20(3) ?
    O3 Sr1 Ca1 . 5_665 36.40(2) ?
    O3 Sr1 Ca1 2_654 5_665 161.85(2) ?
    O3 Sr1 Ca1 5_665 5_665 34.73(2) ?
    O3 Sr1 Ca1 6_565 5_665 113.09(3) ?
    O2 Sr1 Ca1 5_665 5_665 82.52(2) ?
    O2 Sr1 Ca1 6_565 5_665 74.63(2) ?
    C7 Sr1 Ca1 5_665 5_665 59.19(3) ?
    C7 Sr1 Ca1 6_565 5_665 91.94(3) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.0 ?
    O1W Sr1 H2W 2_654 . 114.2(4) ?
    O1W Sr1 H2W . . 17.1(4) ?
    O3 Sr1 H2W . . 106.2(5) ?
    O3 Sr1 H2W 2_654 . 60.1(4) ?
    O3 Sr1 H2W 5_665 . 155.7(4) ?
    O3 Sr1 H2W 6_565 . 74.6(4) ?
    O2 Sr1 H2W 5_665 . 136.4(5) ?
    O2 Sr1 H2W 6_565 . 82.5(4) ?
    C7 Sr1 H2W 5_665 . 151.5(4) ?
    C7 Sr1 H2W 6_565 . 80.9(4) ?
    Sr1 Sr1 H2W 5_665 . 137.7(4) ?
    Ca1 Sr1 H2W 5_665 . 137.7(4) ?
    C1 O1 H1O . . 106.5(14) ?
    C7 O2 Ca1 . 5_665 89.66(8) ?
    C7 O2 Sr1 . 5_665 89.66(8) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 149.93(9) ?
    C7 O3 Ca1 . 5_665 97.08(8) ?
    Sr1 O3 Ca1 . 5_665 108.9 ?
    C7 O3 Sr1 . 5_665 97.08(8) ?
    Sr1 O3 Sr1 . 5_665 108.88(4) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 133.3(15) ?
    Sr1 O1W H2W . . 109.7(13) ?
    H1W O1W H2W . . 110.1(19) ?
    O1 C1 C2 . . 117.63(12) ?
    O1 C1 C6 . . 121.97(12) ?
    C2 C1 C6 . . 120.40(13) ?
    C3 C2 C1 . . 119.48(13) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.07(14) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.32(14) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.82(13) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C5 C6 C1 . . 118.83(13) ?
    C5 C6 C7 . . 120.56(12) ?
    C1 C6 C7 . . 120.62(12) ?
    O3 C7 O2 . . 121.12(12) ?
    O3 C7 C6 . . 119.62(12) ?
    O2 C7 C6 . . 119.25(12) ?
    O3 C7 Ca1 . 5_665 57.88(7) ?
    O2 C7 Ca1 . 5_665 65.01(7) ?
    C6 C7 Ca1 . 5_665 165.24(9) ?
    O3 C7 Sr1 . 5_665 57.88(7) ?
    O2 C7 Sr1 . 5_665 65.01(7) ?
    C6 C7 Sr1 . 5_665 165.24(9) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.25(13) ?
    C6 C1 C2 C3 . . . . 3.1(2) ?
    C1 C2 C3 C4 . . . . -1.5(2) ?
    C2 C3 C4 C5 . . . . -0.7(2) ?
    C3 C4 C5 C6 . . . . 1.4(2) ?
    C4 C5 C6 C1 . . . . 0.2(2) ?
    C4 C5 C6 C7 . . . . -179.95(13) ?
    O1 C1 C6 C5 . . . . 177.92(12) ?
    C2 C1 C6 C5 . . . . -2.5(2) ?
    O1 C1 C6 C7 . . . . -1.9(2) ?
    C2 C1 C6 C7 . . . . 177.69(12) ?
    Sr1 O3 C7 O2 . . . . -134.00(15) ?
    Ca1 O3 C7 O2 5_665 . . . 15.92(13) ?
    Sr1 O3 C7 O2 5_665 . . . 15.92(13) ?
    Sr1 O3 C7 C6 . . . . 47.1(2) ?
    Ca1 O3 C7 C6 5_665 . . . -163.03(10) ?
    Sr1 O3 C7 C6 5_665 . . . -163.03(10) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -149.92(19) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -149.92(19) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -14.85(13) ?
    Sr1 O2 C7 O3 5_665 . . . -14.85(13) ?
    Ca1 O2 C7 C6 5_665 . . . 164.10(10) ?
    Sr1 O2 C7 C6 5_665 . . . 164.10(10) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C5 C6 C7 O3 . . . . 20.16(19) ?
    C1 C6 C7 O3 . . . . -160.01(13) ?
    C5 C6 C7 O2 . . . . -158.80(13) ?
    C1 C6 C7 O2 . . . . 21.03(19) ?
    C5 C6 C7 Ca1 . . . 5_665 -55.8(4) ?
    C1 C6 C7 Ca1 . . . 5_665 124.0(3) ?
    C5 C6 C7 Sr1 . . . 5_665 -55.8(4) ?
    C1 C6 C7 Sr1 . . . 5_665 124.0(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.87(2) 1.83(2) 2.6174(14) 148(2)
    O1W H1W O1 7 0.89(3) 1.95(3) 2.8372(15) 170(2)
    O1W H2W O2 1_554 0.89(2) 2.02(2) 2.8984(16) 168.7(19)
data_CaSr5050
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.47 O8 Sr0.53'
_chemical_formula_sum     'C14 H14 Ca0.47 O8 Sr0.53'
_chemical_formula_iupac     '[Ca0.47 Sr0.53 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     375.48
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.5994(10)
_cell_length_b     11.4832(6)
_cell_length_c     7.7650(5)
_cell_angle_alpha     90
_cell_angle_beta     91.555(5)
_cell_angle_gamma     90
_cell_volume     1479.57(15)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4653
_cell_measurement_theta_min     3.3650
_cell_measurement_theta_max     30.1018
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.686
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     766
_exptl_absorpt_coefficient_mu     2.168
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.84717
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8207
_diffrn_reflns_av_R_equivalents     0.0464
_diffrn_reflns_theta_min     3.372
_diffrn_reflns_theta_max     27.498
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1691
_reflns_number_gt     1546
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0316
_refine_ls_R_factor_gt     0.0270
_refine_ls_wR_factor_gt     0.0566
_refine_ls_wR_factor_ref     0.0581
_refine_ls_goodness_of_fit_ref     1.117
_refine_ls_restrained_S_all     1.117
_refine_ls_number_reflns     1691
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0194P)²+0.3827P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.251
_refine_diff_density_min     -0.284
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44561(2) -0.2500 0.01158(11) Uani d 0.529(3) . .
    Ca Ca1 0.5000 0.44561(2) -0.2500 0.01158(11) Uani d 0.471(3) . .
    O O1 0.25645(8) 0.25386(12) 0.26716(17) 0.0212(3) Uani d 1 . .
    O O2 0.37738(7) 0.39876(10) 0.26651(17) 0.0198(3) Uani d 1 . .
    O O3 0.45461(7) 0.39421(10) 0.03917(17) 0.0204(3) Uani d 1 . .
    O O1W 0.39635(9) 0.31743(13) -0.3803(2) 0.0277(4) Uani d 1 . .
    C C1 0.30099(11) 0.18734(15) 0.1584(2) 0.0165(4) Uani d 1 . .
    C C2 0.27182(12) 0.07802(15) 0.1141(2) 0.0209(4) Uani d 1 . .
    H H2 0.2214 0.0522 0.1550 0.025 Uiso calc 1 . .
    C C3 0.31666(13) 0.00696(16) 0.0102(3) 0.0242(5) Uani d 1 . .
    H H3 0.2972 -0.0686 -0.0185 0.029 Uiso calc 1 . .
    C C4 0.38967(12) 0.04380(16) -0.0531(3) 0.0240(5) Uani d 1 . .
    H H4 0.4204 -0.0065 -0.1229 0.029 Uiso calc 1 . .
    C C5 0.41717(11) 0.15415(15) -0.0138(2) 0.0200(4) Uani d 1 . .
    H H5 0.4664 0.1805 -0.0595 0.024 Uiso calc 1 . .
    C C6 0.37345(10) 0.22793(14) 0.0929(2) 0.0153(4) Uani d 1 . .
    C C7 0.40331(10) 0.34674(15) 0.1335(2) 0.0153(4) Uani d 1 . .
    H H1O 0.2830(15) 0.322(2) 0.281(3) 0.053(8) Uiso d 1 . .
    H H1W 0.3526(17) 0.290(2) -0.338(3) 0.061(9) Uiso d 1 . .
    H H2W 0.3873(16) 0.334(2) -0.492(4) 0.060(9) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 2_654 2.4596(13) ?
    Sr1 O3 . 2.4597(13) ?
    Sr1 O1W 2_654 2.4608(15) ?
    Sr1 O1W . 2.4608(15) ?
    Sr1 O3 5_665 2.5621(13) ?
    Sr1 O3 6_565 2.5621(13) ?
    Sr1 O2 5_665 2.7143(12) ?
    Sr1 O2 6_565 2.7143(12) ?
    Sr1 C7 5_665 3.0001(18) ?
    Sr1 C7 6_565 3.0001(18) ?
    Sr1 Sr1 5_665 4.0785(3) ?
    Sr1 Ca1 5_665 4.0785(3) ?
    Sr1 H2W . 2.92(3) ?
    O1 C1 . 1.370(2) ?
    O1 H1O . 0.90(3) ?
    O2 C7 . 1.278(2) ?
    O2 Ca1 5_665 2.7143(12) ?
    O2 Sr1 5_665 2.7143(12) ?
    O3 C7 . 1.262(2) ?
    O3 Ca1 5_665 2.5621(13) ?
    O3 Sr1 5_665 2.5621(13) ?
    O1W H1W . 0.86(3) ?
    O1W H2W . 0.90(3) ?
    C1 C2 . 1.385(2) ?
    C1 C6 . 1.398(2) ?
    C2 C3 . 1.380(3) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.386(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.378(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.401(2) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.483(2) ?
    C7 Ca1 5_665 3.0001(18) ?
    C7 Sr1 5_665 3.0001(18) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 2_654 . 152.23(6) ?
    O3 Sr1 O1W 2_654 2_654 90.21(5) ?
    O3 Sr1 O1W . 2_654 73.10(5) ?
    O3 Sr1 O1W 2_654 . 73.10(5) ?
    O3 Sr1 O1W . . 90.21(5) ?
    O1W Sr1 O1W 2_654 . 106.53(7) ?
    O3 Sr1 O3 2_654 5_665 131.57(4) ?
    O3 Sr1 O3 . 5_665 71.40(4) ?
    O1W Sr1 O3 2_654 5_665 88.66(5) ?
    O1W Sr1 O3 . 5_665 151.92(5) ?
    O3 Sr1 O3 2_654 6_565 71.40(4) ?
    O3 Sr1 O3 . 6_565 131.57(4) ?
    O1W Sr1 O3 2_654 6_565 151.92(5) ?
    O1W Sr1 O3 . 6_565 88.66(5) ?
    O3 Sr1 O3 5_665 6_565 88.23(6) ?
    O3 Sr1 O2 2_654 5_665 82.31(4) ?
    O3 Sr1 O2 . 5_665 116.73(4) ?
    O1W Sr1 O2 2_654 5_665 84.05(4) ?
    O1W Sr1 O2 . 5_665 153.03(5) ?
    O3 Sr1 O2 5_665 5_665 49.43(4) ?
    O3 Sr1 O2 6_565 5_665 72.84(4) ?
    O3 Sr1 O2 2_654 6_565 116.73(4) ?
    O3 Sr1 O2 . 6_565 82.31(4) ?
    O1W Sr1 O2 2_654 6_565 153.03(5) ?
    O1W Sr1 O2 . 6_565 84.05(4) ?
    O3 Sr1 O2 5_665 6_565 72.84(4) ?
    O3 Sr1 O2 6_565 6_565 49.43(4) ?
    O2 Sr1 O2 5_665 6_565 97.64(5) ?
    O3 Sr1 C7 2_654 5_665 106.94(4) ?
    O3 Sr1 C7 . 5_665 95.17(5) ?
    O1W Sr1 C7 2_654 5_665 89.38(5) ?
    O1W Sr1 C7 . 5_665 164.08(5) ?
    O3 Sr1 C7 5_665 5_665 24.65(4) ?
    O3 Sr1 C7 6_565 5_665 76.56(4) ?
    O2 Sr1 C7 5_665 5_665 25.21(4) ?
    O2 Sr1 C7 6_565 5_665 81.84(4) ?
    O3 Sr1 C7 2_654 6_565 95.17(5) ?
    O3 Sr1 C7 . 6_565 106.94(4) ?
    O1W Sr1 C7 2_654 6_565 164.08(5) ?
    O1W Sr1 C7 . 6_565 89.38(5) ?
    O3 Sr1 C7 5_665 6_565 76.56(4) ?
    O3 Sr1 C7 6_565 6_565 24.65(4) ?
    O2 Sr1 C7 5_665 6_565 81.84(4) ?
    O2 Sr1 C7 6_565 6_565 25.21(4) ?
    C7 Sr1 C7 5_665 6_565 74.73(7) ?
    O3 Sr1 Sr1 2_654 5_665 161.89(3) ?
    O3 Sr1 Sr1 . 5_665 36.54(3) ?
    O1W Sr1 Sr1 2_654 5_665 79.04(4) ?
    O1W Sr1 Sr1 . 5_665 123.81(4) ?
    O3 Sr1 Sr1 5_665 5_665 34.86(3) ?
    O3 Sr1 Sr1 6_565 5_665 112.38(3) ?
    O2 Sr1 Sr1 5_665 5_665 82.11(3) ?
    O2 Sr1 Sr1 6_565 5_665 74.57(3) ?
    C7 Sr1 Sr1 5_665 5_665 58.90(4) ?
    C7 Sr1 Sr1 6_565 5_665 91.70(4) ?
    O3 Sr1 Ca1 2_654 5_665 161.89(3) ?
    O3 Sr1 Ca1 . 5_665 36.54(3) ?
    O1W Sr1 Ca1 2_654 5_665 79.04(4) ?
    O1W Sr1 Ca1 . 5_665 123.81(4) ?
    O3 Sr1 Ca1 5_665 5_665 34.86(3) ?
    O3 Sr1 Ca1 6_565 5_665 112.38(3) ?
    O2 Sr1 Ca1 5_665 5_665 82.11(3) ?
    O2 Sr1 Ca1 6_565 5_665 74.57(3) ?
    C7 Sr1 Ca1 5_665 5_665 58.90(4) ?
    C7 Sr1 Ca1 6_565 5_665 91.70(4) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.000(8) ?
    O3 Sr1 H2W 2_654 . 60.8(5) ?
    O3 Sr1 H2W . . 106.1(5) ?
    O1W Sr1 H2W 2_654 . 115.5(5) ?
    O1W Sr1 H2W . . 16.7(5) ?
    O3 Sr1 H2W 5_665 . 154.3(5) ?
    O3 Sr1 H2W 6_565 . 74.4(5) ?
    O2 Sr1 H2W 5_665 . 136.7(5) ?
    O2 Sr1 H2W 6_565 . 81.5(5) ?
    C7 Sr1 H2W 5_665 . 150.8(5) ?
    C7 Sr1 H2W 6_565 . 80.0(5) ?
    Sr1 Sr1 H2W 5_665 . 137.1(5) ?
    Ca1 Sr1 H2W 5_665 . 137.1(5) ?
    C1 O1 H1O . . 106.5(15) ?
    C7 O2 Ca1 . 5_665 90.00(10) ?
    C7 O2 Sr1 . 5_665 90.00(10) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 149.53(12) ?
    C7 O3 Ca1 . 5_665 97.49(11) ?
    Sr1 O3 Ca1 . 5_665 108.6 ?
    C7 O3 Sr1 . 5_665 97.49(11) ?
    Sr1 O3 Sr1 . 5_665 108.60(4) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 130.5(18) ?
    Sr1 O1W H2W . . 111.7(17) ?
    H1W O1W H2W . . 109(2) ?
    O1 C1 C2 . . 117.85(16) ?
    O1 C1 C6 . . 121.47(16) ?
    C2 C1 C6 . . 120.68(17) ?
    C3 C2 C1 . . 119.37(18) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.17(18) ?
    C2 C3 H3 . . 119.4 ?
    C4 C3 H3 . . 119.4 ?
    C5 C4 C3 . . 119.30(18) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 120.88(17) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C1 C6 C5 . . 118.54(16) ?
    C1 C6 C7 . . 121.03(16) ?
    C5 C6 C7 . . 120.43(16) ?
    O3 C7 O2 . . 120.98(16) ?
    O3 C7 C6 . . 120.06(16) ?
    O2 C7 C6 . . 118.95(16) ?
    O3 C7 Ca1 . 5_665 57.86(9) ?
    O2 C7 Ca1 . 5_665 64.79(9) ?
    C6 C7 Ca1 . 5_665 165.59(12) ?
    O3 C7 Sr1 . 5_665 57.86(9) ?
    O2 C7 Sr1 . 5_665 64.79(9) ?
    C6 C7 Sr1 . 5_665 165.59(12) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.53(17) ?
    C6 C1 C2 C3 . . . . 2.7(3) ?
    C1 C2 C3 C4 . . . . -1.1(3) ?
    C2 C3 C4 C5 . . . . -1.1(3) ?
    C3 C4 C5 C6 . . . . 1.8(3) ?
    O1 C1 C6 C5 . . . . 178.20(16) ?
    C2 C1 C6 C5 . . . . -2.1(3) ?
    O1 C1 C6 C7 . . . . -2.4(3) ?
    C2 C1 C6 C7 . . . . 177.32(17) ?
    C4 C5 C6 C1 . . . . -0.2(3) ?
    C4 C5 C6 C7 . . . . -179.59(18) ?
    Sr1 O3 C7 O2 . . . . -133.67(19) ?
    Ca1 O3 C7 O2 5_665 . . . 15.42(18) ?
    Sr1 O3 C7 O2 5_665 . . . 15.42(18) ?
    Sr1 O3 C7 C6 . . . . 47.6(3) ?
    Ca1 O3 C7 C6 5_665 . . . -163.33(14) ?
    Sr1 O3 C7 C6 5_665 . . . -163.33(14) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -149.1(2) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -149.1(2) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -14.40(17) ?
    Sr1 O2 C7 O3 5_665 . . . -14.40(17) ?
    Ca1 O2 C7 C6 5_665 . . . 164.36(14) ?
    Sr1 O2 C7 C6 5_665 . . . 164.36(14) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C1 C6 C7 O3 . . . . -160.07(17) ?
    C5 C6 C7 O3 . . . . 19.3(3) ?
    C1 C6 C7 O2 . . . . 21.2(3) ?
    C5 C6 C7 O2 . . . . -159.47(17) ?
    C1 C6 C7 Ca1 . . . 5_665 122.5(5) ?
    C5 C6 C7 Ca1 . . . 5_665 -58.1(6) ?
    C1 C6 C7 Sr1 . . . 5_665 122.5(5) ?
    C5 C6 C7 Sr1 . . . 5_665 -58.1(6) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.90(3) 1.81(3) 2.6075(17) 147(2)
    O1W H1W O1 7 0.86(3) 1.97(3) 2.8276(19) 171(2)
    O1W H2W O2 1_554 0.90(3) 2.02(3) 2.906(2) 169(2)
data_CaSr3070
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     ?
_chemical_formula_sum     'C14 H14 Ca0.37 O8 Sr0.63'
_chemical_formula_iupac     '[Ca0.37 Sr0.63 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     380.38
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.6319(6)
_cell_length_b     11.4995(4)
_cell_length_c     7.7729(3)
_cell_angle_alpha     90
_cell_angle_beta     91.599(4)
_cell_angle_gamma     90
_cell_volume     1486.05(9)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     10979
_cell_measurement_theta_min     3.3601
_cell_measurement_theta_max     30.3915
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.700
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     774
_exptl_absorpt_coefficient_mu     2.489
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.73489
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     16351
_diffrn_reflns_av_R_equivalents     0.0357
_diffrn_reflns_theta_min     3.367
_diffrn_reflns_theta_max     27.494
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1704
_reflns_number_gt     1622
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0228
_refine_ls_R_factor_gt     0.0208
_refine_ls_wR_factor_gt     0.0512
_refine_ls_wR_factor_ref     0.0522
_refine_ls_goodness_of_fit_ref     1.061
_refine_ls_restrained_S_all     1.061
_refine_ls_number_reflns     1704
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0278P)²+1.2252P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.488
_refine_diff_density_min     -0.246
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44518(2) -0.2500 0.01297(8) Uani d 0.632(4) . .
    Ca Ca1 0.5000 0.44518(2) -0.2500 0.01297(8) Uani d 0.368(4) . .
    O O1 0.25649(6) 0.25358(10) 0.26696(14) 0.0226(3) Uani d 1 . .
    O O2 0.37727(6) 0.39842(9) 0.26602(13) 0.0206(2) Uani d 1 . .
    O O3 0.45448(6) 0.39323(9) 0.03965(14) 0.0215(3) Uani d 1 . .
    O O1W 0.39587(7) 0.31632(11) -0.38135(16) 0.0283(3) Uani d 1 . .
    C C1 0.30065(8) 0.18750(12) 0.15863(18) 0.0173(3) Uani d 1 . .
    C C2 0.27135(9) 0.07781(13) 0.11396(19) 0.0220(3) Uani d 1 . .
    H H2 0.2210 0.0523 0.1546 0.026 Uiso calc 1 . .
    C C3 0.31588(10) 0.00648(14) 0.0105(2) 0.0255(3) Uani d 1 . .
    H H3 0.2963 -0.0689 -0.0180 0.031 Uiso calc 1 . .
    C C4 0.38909(11) 0.04319(14) -0.0530(2) 0.0263(4) Uani d 1 . .
    H H4 0.4197 -0.0070 -0.1229 0.032 Uiso calc 1 . .
    C C5 0.41673(9) 0.15382(13) -0.01308(19) 0.0217(3) Uani d 1 . .
    H H5 0.4660 0.1800 -0.0584 0.026 Uiso calc 1 . .
    C C6 0.37330(8) 0.22746(12) 0.09286(18) 0.0169(3) Uani d 1 . .
    C C7 0.40328(8) 0.34645(12) 0.13462(18) 0.0167(3) Uani d 1 . .
    H H1O 0.2833(15) 0.321(2) 0.284(3) 0.054(7) Uiso d 1 . .
    H H1W 0.3520(17) 0.292(2) -0.344(3) 0.064(8) Uiso d 1 . .
    H H2W 0.3891(13) 0.3347(19) -0.487(3) 0.043(6) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 2_654 2.4686(10) ?
    Sr1 O3 . 2.4686(10) ?
    Sr1 O1W 2_654 2.4777(12) ?
    Sr1 O1W . 2.4778(12) ?
    Sr1 O3 5_665 2.5749(10) ?
    Sr1 O3 6_565 2.5749(10) ?
    Sr1 O2 5_665 2.7260(10) ?
    Sr1 O2 6_565 2.7260(10) ?
    Sr1 C7 5_665 3.0088(14) ?
    Sr1 C7 6_565 3.0088(14) ?
    Sr1 Sr1 5_665 4.08582(19) ?
    Sr1 Ca1 5_665 4.08582(19) ?
    Sr1 H2W . 2.87(2) ?
    O1 C1 . 1.3639(18) ?
    O1 H1O . 0.90(3) ?
    O2 C7 . 1.2697(18) ?
    O2 Ca1 5_665 2.7260(10) ?
    O2 Sr1 5_665 2.7260(10) ?
    O3 C7 . 1.2627(17) ?
    O3 Ca1 5_665 2.5749(10) ?
    O3 Sr1 5_665 2.5749(10) ?
    O1W H1W . 0.84(3) ?
    O1W H2W . 0.85(2) ?
    C1 C2 . 1.393(2) ?
    C1 C6 . 1.403(2) ?
    C2 C3 . 1.379(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.392(2) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.385(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.397(2) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.4890(19) ?
    C7 Ca1 5_665 3.0088(14) ?
    C7 Sr1 5_665 3.0088(14) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 2_654 . 151.99(5) ?
    O3 Sr1 O1W 2_654 2_654 90.14(4) ?
    O3 Sr1 O1W . 2_654 73.03(4) ?
    O3 Sr1 O1W 2_654 . 73.03(4) ?
    O3 Sr1 O1W . . 90.14(4) ?
    O1W Sr1 O1W 2_654 . 106.53(6) ?
    O3 Sr1 O3 2_654 5_665 131.42(4) ?
    O3 Sr1 O3 . 5_665 71.81(4) ?
    O1W Sr1 O3 2_654 5_665 88.87(4) ?
    O1W Sr1 O3 . 5_665 152.01(4) ?
    O3 Sr1 O3 2_654 6_565 71.81(4) ?
    O3 Sr1 O3 . 6_565 131.42(4) ?
    O1W Sr1 O3 2_654 6_565 152.01(4) ?
    O1W Sr1 O3 . 6_565 88.87(4) ?
    O3 Sr1 O3 5_665 6_565 87.62(5) ?
    O3 Sr1 O2 2_654 5_665 82.47(3) ?
    O3 Sr1 O2 . 5_665 116.77(3) ?
    O1W Sr1 O2 2_654 5_665 84.13(4) ?
    O1W Sr1 O2 . 5_665 153.06(4) ?
    O3 Sr1 O2 5_665 5_665 49.13(3) ?
    O3 Sr1 O2 6_565 5_665 72.67(3) ?
    O3 Sr1 O2 2_654 6_565 116.77(3) ?
    O3 Sr1 O2 . 6_565 82.47(3) ?
    O1W Sr1 O2 2_654 6_565 153.06(4) ?
    O1W Sr1 O2 . 6_565 84.13(4) ?
    O3 Sr1 O2 5_665 6_565 72.67(3) ?
    O3 Sr1 O2 6_565 6_565 49.13(3) ?
    O2 Sr1 O2 5_665 6_565 97.44(4) ?
    O3 Sr1 C7 2_654 5_665 106.83(4) ?
    O3 Sr1 C7 . 5_665 95.50(4) ?
    O1W Sr1 C7 2_654 5_665 89.53(4) ?
    O1W Sr1 C7 . 5_665 163.92(4) ?
    O3 Sr1 C7 5_665 5_665 24.60(3) ?
    O3 Sr1 C7 6_565 5_665 76.10(4) ?
    O2 Sr1 C7 5_665 5_665 24.96(3) ?
    O2 Sr1 C7 6_565 5_665 81.71(3) ?
    O3 Sr1 C7 2_654 6_565 95.50(4) ?
    O3 Sr1 C7 . 6_565 106.83(4) ?
    O1W Sr1 C7 2_654 6_565 163.92(4) ?
    O1W Sr1 C7 . 6_565 89.53(4) ?
    O3 Sr1 C7 5_665 6_565 76.10(4) ?
    O3 Sr1 C7 6_565 6_565 24.60(3) ?
    O2 Sr1 C7 5_665 6_565 81.71(3) ?
    O2 Sr1 C7 6_565 6_565 24.96(3) ?
    C7 Sr1 C7 5_665 6_565 74.43(5) ?
    O3 Sr1 Sr1 2_654 5_665 161.86(2) ?
    O3 Sr1 Sr1 . 5_665 36.78(2) ?
    O1W Sr1 Sr1 2_654 5_665 79.12(3) ?
    O1W Sr1 Sr1 . 5_665 123.91(3) ?
    O3 Sr1 Sr1 5_665 5_665 35.03(2) ?
    O3 Sr1 Sr1 6_565 5_665 111.93(2) ?
    O2 Sr1 Sr1 5_665 5_665 81.94(2) ?
    O2 Sr1 Sr1 6_565 5_665 74.52(2) ?
    C7 Sr1 Sr1 5_665 5_665 59.00(3) ?
    C7 Sr1 Sr1 6_565 5_665 91.35(3) ?
    O3 Sr1 Ca1 2_654 5_665 161.86(2) ?
    O3 Sr1 Ca1 . 5_665 36.78(2) ?
    O1W Sr1 Ca1 2_654 5_665 79.12(3) ?
    O1W Sr1 Ca1 . 5_665 123.91(3) ?
    O3 Sr1 Ca1 5_665 5_665 35.03(2) ?
    O3 Sr1 Ca1 6_565 5_665 111.93(2) ?
    O2 Sr1 Ca1 5_665 5_665 81.94(2) ?
    O2 Sr1 Ca1 6_565 5_665 74.52(2) ?
    C7 Sr1 Ca1 5_665 5_665 59.00(3) ?
    C7 Sr1 Ca1 6_565 5_665 91.35(3) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.0 ?
    O3 Sr1 H2W 2_654 . 61.0(5) ?
    O3 Sr1 H2W . . 105.7(5) ?
    O1W Sr1 H2W 2_654 . 115.4(5) ?
    O1W Sr1 H2W . . 16.4(5) ?
    O3 Sr1 H2W 5_665 . 154.2(4) ?
    O3 Sr1 H2W 6_565 . 74.9(5) ?
    O2 Sr1 H2W 5_665 . 137.1(5) ?
    O2 Sr1 H2W 6_565 . 81.5(4) ?
    C7 Sr1 H2W 5_665 . 150.9(5) ?
    C7 Sr1 H2W 6_565 . 80.3(5) ?
    Sr1 Sr1 H2W 5_665 . 137.0(5) ?
    Ca1 Sr1 H2W 5_665 . 137.0(5) ?
    C1 O1 H1O . . 107.2(15) ?
    C7 O2 Ca1 . 5_665 90.08(8) ?
    C7 O2 Sr1 . 5_665 90.08(8) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 149.91(9) ?
    C7 O3 Ca1 . 5_665 97.32(8) ?
    Sr1 O3 Ca1 . 5_665 108.2 ?
    C7 O3 Sr1 . 5_665 97.32(8) ?
    Sr1 O3 Sr1 . 5_665 108.19(4) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 131.2(18) ?
    Sr1 O1W H2W . . 108.7(15) ?
    H1W O1W H2W . . 109(2) ?
    O1 C1 C2 . . 117.89(13) ?
    O1 C1 C6 . . 121.78(13) ?
    C2 C1 C6 . . 120.32(14) ?
    C3 C2 C1 . . 119.63(14) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 121.05(14) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.16(15) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 121.02(14) ?
    C4 C5 H5 . . 119.5 ?
    C6 C5 H5 . . 119.5 ?
    C5 C6 C1 . . 118.77(13) ?
    C5 C6 C7 . . 120.68(13) ?
    C1 C6 C7 . . 120.55(13) ?
    O3 C7 O2 . . 121.35(13) ?
    O3 C7 C6 . . 119.42(13) ?
    O2 C7 C6 . . 119.23(12) ?
    O3 C7 Ca1 . 5_665 58.08(7) ?
    O2 C7 Ca1 . 5_665 64.96(7) ?
    C6 C7 Ca1 . 5_665 165.88(9) ?
    O3 C7 Sr1 . 5_665 58.08(7) ?
    O2 C7 Sr1 . 5_665 64.96(7) ?
    C6 C7 Sr1 . 5_665 165.88(9) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.33(13) ?
    C6 C1 C2 C3 . . . . 2.8(2) ?
    C1 C2 C3 C4 . . . . -1.3(2) ?
    C2 C3 C4 C5 . . . . -0.9(2) ?
    C3 C4 C5 C6 . . . . 1.6(2) ?
    C4 C5 C6 C1 . . . . -0.1(2) ?
    C4 C5 C6 C7 . . . . -179.76(14) ?
    O1 C1 C6 C5 . . . . 177.99(13) ?
    C2 C1 C6 C5 . . . . -2.1(2) ?
    O1 C1 C6 C7 . . . . -2.3(2) ?
    C2 C1 C6 C7 . . . . 177.57(13) ?
    Sr1 O3 C7 O2 . . . . -132.57(16) ?
    Ca1 O3 C7 O2 5_665 . . . 15.58(14) ?
    Sr1 O3 C7 O2 5_665 . . . 15.58(14) ?
    Sr1 O3 C7 C6 . . . . 48.0(2) ?
    Ca1 O3 C7 C6 5_665 . . . -163.82(10) ?
    Sr1 O3 C7 C6 5_665 . . . -163.82(10) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -148.2(2) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -148.2(2) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -14.58(13) ?
    Sr1 O2 C7 O3 5_665 . . . -14.58(13) ?
    Ca1 O2 C7 C6 5_665 . . . 164.83(11) ?
    Sr1 O2 C7 C6 5_665 . . . 164.83(11) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C5 C6 C7 O3 . . . . 19.7(2) ?
    C1 C6 C7 O3 . . . . -160.00(13) ?
    C5 C6 C7 O2 . . . . -159.73(14) ?
    C1 C6 C7 O2 . . . . 20.6(2) ?
    C5 C6 C7 Ca1 . . . 5_665 -56.1(5) ?
    C1 C6 C7 Ca1 . . . 5_665 124.2(4) ?
    C5 C6 C7 Sr1 . . . 5_665 -56.1(5) ?
    C1 C6 C7 Sr1 . . . 5_665 124.2(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.90(3) 1.81(3) 2.6096(15) 147(2)
    O1W H1W O1 7 0.84(3) 1.99(3) 2.8255(16) 175(3)
    O1W H2W O2 1_554 0.85(2) 2.06(2) 2.9074(17) 173(2)
data_CaSr2080
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.21 O8 Sr0.79'
_chemical_formula_sum     'C14 H14 Ca0.21 O8 Sr0.79'
_chemical_formula_iupac     '[Ca0.21 Sr0.79 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     387.85
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.6650(11)
_cell_length_b     11.4816(7)
_cell_length_c     7.8105(5)
_cell_angle_alpha     90
_cell_angle_beta     91.576(6)
_cell_angle_gamma     90
_cell_volume     1493.90(16)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4057
_cell_measurement_theta_min     3.3514
_cell_measurement_theta_max     30.0934
_cell_measurement_temperature     150(2)
_exptl_crystal_description     'cut prism'
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.26
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.724
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     785
_exptl_absorpt_coefficient_mu     2.977
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.89614
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6802
_diffrn_reflns_av_R_equivalents     0.0414
_diffrn_reflns_theta_min     3.358
_diffrn_reflns_theta_max     27.490
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1716
_reflns_number_gt     1594
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0277
_refine_ls_R_factor_gt     0.0243
_refine_ls_wR_factor_gt     0.0522
_refine_ls_wR_factor_ref     0.0535
_refine_ls_goodness_of_fit_ref     1.060
_refine_ls_restrained_S_all     1.060
_refine_ls_number_reflns     1716
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0229P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.311
_refine_diff_density_min     -0.317
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44477(2) -0.2500 0.01095(9) Uani d 0.789(4) . .
    Ca Ca1 0.5000 0.44477(2) -0.2500 0.01095(9) Uani d 0.211(4) . .
    O O1 0.25656(7) 0.25362(12) 0.26623(17) 0.0208(3) Uani d 1 . .
    O O2 0.37707(7) 0.39785(11) 0.26542(16) 0.0186(3) Uani d 1 . .
    O O3 0.45435(7) 0.39201(11) 0.04011(16) 0.0187(3) Uani d 1 . .
    O O1W 0.39514(8) 0.31499(13) -0.38344(19) 0.0262(4) Uani d 1 . .
    C C1 0.30041(10) 0.18727(15) 0.1585(2) 0.0160(4) Uani d 1 . .
    C C2 0.27070(11) 0.07764(15) 0.1144(2) 0.0199(4) Uani d 1 . .
    H H2 0.2205 0.0522 0.1554 0.024 Uiso calc 1 . .
    C C3 0.31486(12) 0.00625(16) 0.0105(2) 0.0239(4) Uani d 1 . .
    H H3 0.2949 -0.0689 -0.0187 0.029 Uiso calc 1 . .
    C C4 0.38783(12) 0.04244(16) -0.0520(3) 0.0248(5) Uani d 1 . .
    H H4 0.4183 -0.0081 -0.1213 0.030 Uiso calc 1 . .
    C C5 0.41577(11) 0.15290(15) -0.0124(2) 0.0201(4) Uani d 1 . .
    H H5 0.4650 0.1788 -0.0578 0.024 Uiso calc 1 . .
    C C6 0.37279(10) 0.22681(15) 0.0933(2) 0.0155(4) Uani d 1 . .
    C C7 0.40303(10) 0.34547(15) 0.1344(2) 0.0146(4) Uani d 1 . .
    H H1O 0.2797(15) 0.323(2) 0.280(4) 0.064(9) Uiso d 1 . .
    H H1W 0.3496(16) 0.288(2) -0.344(4) 0.060(8) Uiso d 1 . .
    H H2W 0.3899(14) 0.338(2) -0.487(3) 0.047(8) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 2_654 2.4849(12) ?
    Sr1 O3 . 2.4849(12) ?
    Sr1 O1W 2_654 2.5020(14) ?
    Sr1 O1W . 2.5020(14) ?
    Sr1 O3 5_665 2.5902(12) ?
    Sr1 O3 6_565 2.5902(12) ?
    Sr1 O2 5_665 2.7368(12) ?
    Sr1 O2 6_565 2.7368(12) ?
    Sr1 C7 5_665 3.0245(17) ?
    Sr1 C7 6_565 3.0245(17) ?
    Sr1 Sr1 5_665 4.1061(3) ?
    Sr1 Ca1 5_665 4.1061(3) ?
    Sr1 H2W . 2.85(3) ?
    O1 C1 . 1.362(2) ?
    O1 H1O . 0.89(3) ?
    O2 C7 . 1.273(2) ?
    O2 Ca1 5_665 2.7368(12) ?
    O2 Sr1 5_665 2.7368(12) ?
    O3 C7 . 1.2623(19) ?
    O3 Ca1 5_665 2.5903(12) ?
    O3 Sr1 5_665 2.5903(12) ?
    O1W H1W . 0.88(3) ?
    O1W H2W . 0.85(3) ?
    C1 C2 . 1.393(2) ?
    C1 C6 . 1.398(2) ?
    C2 C3 . 1.380(3) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.387(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.383(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.395(2) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.485(2) ?
    C7 Ca1 5_665 3.0245(17) ?
    C7 Sr1 5_665 3.0245(17) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 2_654 . 151.79(6) ?
    O3 Sr1 O1W 2_654 2_654 90.39(4) ?
    O3 Sr1 O1W . 2_654 72.71(4) ?
    O3 Sr1 O1W 2_654 . 72.71(4) ?
    O3 Sr1 O1W . . 90.39(4) ?
    O1W Sr1 O1W 2_654 . 106.90(7) ?
    O3 Sr1 O3 2_654 5_665 131.42(4) ?
    O3 Sr1 O3 . 5_665 72.01(4) ?
    O1W Sr1 O3 2_654 5_665 88.72(5) ?
    O1W Sr1 O3 . 5_665 152.14(4) ?
    O3 Sr1 O3 2_654 6_565 72.01(4) ?
    O3 Sr1 O3 . 6_565 131.42(4) ?
    O1W Sr1 O3 2_654 6_565 152.14(4) ?
    O1W Sr1 O3 . 6_565 88.72(5) ?
    O3 Sr1 O3 5_665 6_565 87.32(6) ?
    O3 Sr1 O2 2_654 5_665 82.68(4) ?
    O3 Sr1 O2 . 5_665 116.70(4) ?
    O1W Sr1 O2 2_654 5_665 84.06(4) ?
    O1W Sr1 O2 . 5_665 152.87(4) ?
    O3 Sr1 O2 5_665 5_665 48.93(3) ?
    O3 Sr1 O2 6_565 5_665 72.64(4) ?
    O3 Sr1 O2 2_654 6_565 116.70(4) ?
    O3 Sr1 O2 . 6_565 82.68(4) ?
    O1W Sr1 O2 2_654 6_565 152.87(4) ?
    O1W Sr1 O2 . 6_565 84.06(4) ?
    O3 Sr1 O2 5_665 6_565 72.64(4) ?
    O3 Sr1 O2 6_565 6_565 48.93(3) ?
    O2 Sr1 O2 5_665 6_565 97.36(5) ?
    O3 Sr1 C7 2_654 5_665 106.98(4) ?
    O3 Sr1 C7 . 5_665 95.52(4) ?
    O1W Sr1 C7 2_654 5_665 89.34(5) ?
    O1W Sr1 C7 . 5_665 163.73(5) ?
    O3 Sr1 C7 5_665 5_665 24.45(4) ?
    O3 Sr1 C7 6_565 5_665 76.00(4) ?
    O2 Sr1 C7 5_665 5_665 24.90(4) ?
    O2 Sr1 C7 6_565 5_665 81.69(4) ?
    O3 Sr1 C7 2_654 6_565 95.52(4) ?
    O3 Sr1 C7 . 6_565 106.98(4) ?
    O1W Sr1 C7 2_654 6_565 163.73(5) ?
    O1W Sr1 C7 . 6_565 89.34(5) ?
    O3 Sr1 C7 5_665 6_565 76.00(4) ?
    O3 Sr1 C7 6_565 6_565 24.45(4) ?
    O2 Sr1 C7 5_665 6_565 81.69(4) ?
    O2 Sr1 C7 6_565 6_565 24.90(4) ?
    C7 Sr1 C7 5_665 6_565 74.44(6) ?
    O3 Sr1 Sr1 2_654 5_665 161.91(3) ?
    O3 Sr1 Sr1 . 5_665 36.87(3) ?
    O1W Sr1 Sr1 2_654 5_665 78.82(4) ?
    O1W Sr1 Sr1 . 5_665 124.19(3) ?
    O3 Sr1 Sr1 5_665 5_665 35.14(3) ?
    O3 Sr1 Sr1 6_565 5_665 111.76(3) ?
    O2 Sr1 Sr1 5_665 5_665 81.81(3) ?
    O2 Sr1 Sr1 6_565 5_665 74.61(3) ?
    C7 Sr1 Sr1 5_665 5_665 58.93(3) ?
    C7 Sr1 Sr1 6_565 5_665 91.38(3) ?
    O3 Sr1 Ca1 2_654 5_665 161.91(3) ?
    O3 Sr1 Ca1 . 5_665 36.87(3) ?
    O1W Sr1 Ca1 2_654 5_665 78.82(4) ?
    O1W Sr1 Ca1 . 5_665 124.19(3) ?
    O3 Sr1 Ca1 5_665 5_665 35.14(3) ?
    O3 Sr1 Ca1 6_565 5_665 111.76(3) ?
    O2 Sr1 Ca1 5_665 5_665 81.81(3) ?
    O2 Sr1 Ca1 6_565 5_665 74.61(3) ?
    C7 Sr1 Ca1 5_665 5_665 58.93(3) ?
    C7 Sr1 Ca1 6_565 5_665 91.38(3) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.0 ?
    O3 Sr1 H2W 2_654 . 60.7(5) ?
    O3 Sr1 H2W . . 106.2(5) ?
    O1W Sr1 H2W 2_654 . 116.3(5) ?
    O1W Sr1 H2W . . 16.7(5) ?
    O3 Sr1 H2W 5_665 . 153.7(5) ?
    O3 Sr1 H2W 6_565 . 74.3(5) ?
    O2 Sr1 H2W 5_665 . 136.6(5) ?
    O2 Sr1 H2W 6_565 . 81.1(5) ?
    C7 Sr1 H2W 5_665 . 150.2(5) ?
    C7 Sr1 H2W 6_565 . 79.7(5) ?
    Sr1 Sr1 H2W 5_665 . 137.2(5) ?
    Ca1 Sr1 H2W 5_665 . 137.2(5) ?
    C1 O1 H1O . . 109.9(16) ?
    C7 O2 Ca1 . 5_665 90.30(9) ?
    C7 O2 Sr1 . 5_665 90.30(9) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 149.79(11) ?
    C7 O3 Ca1 . 5_665 97.42(10) ?
    Sr1 O3 Ca1 . 5_665 108.0 ?
    C7 O3 Sr1 . 5_665 97.42(10) ?
    Sr1 O3 Sr1 . 5_665 107.99(4) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 131.3(17) ?
    Sr1 O1W H2W . . 105.4(17) ?
    H1W O1W H2W . . 112(2) ?
    O1 C1 C2 . . 117.73(15) ?
    O1 C1 C6 . . 121.76(15) ?
    C2 C1 C6 . . 120.51(16) ?
    C3 C2 C1 . . 119.39(17) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.07(17) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.28(18) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 120.99(16) ?
    C4 C5 H5 . . 119.5 ?
    C6 C5 H5 . . 119.5 ?
    C5 C6 C1 . . 118.70(16) ?
    C5 C6 C7 . . 120.60(15) ?
    C1 C6 C7 . . 120.69(15) ?
    O3 C7 O2 . . 121.30(15) ?
    O3 C7 C6 . . 119.60(15) ?
    O2 C7 C6 . . 119.10(15) ?
    O3 C7 Ca1 . 5_665 58.13(9) ?
    O2 C7 Ca1 . 5_665 64.81(9) ?
    C6 C7 Ca1 . 5_665 166.10(12) ?
    O3 C7 Sr1 . 5_665 58.13(9) ?
    O2 C7 Sr1 . 5_665 64.81(9) ?
    C6 C7 Sr1 . 5_665 166.10(12) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.70(17) ?
    C6 C1 C2 C3 . . . . 2.4(3) ?
    C1 C2 C3 C4 . . . . -0.7(3) ?
    C2 C3 C4 C5 . . . . -1.4(3) ?
    C3 C4 C5 C6 . . . . 1.9(3) ?
    C4 C5 C6 C1 . . . . -0.2(3) ?
    C4 C5 C6 C7 . . . . -179.67(17) ?
    O1 C1 C6 C5 . . . . 178.14(16) ?
    C2 C1 C6 C5 . . . . -2.0(3) ?
    O1 C1 C6 C7 . . . . -2.4(3) ?
    C2 C1 C6 C7 . . . . 177.50(16) ?
    Sr1 O3 C7 O2 . . . . -132.13(19) ?
    Ca1 O3 C7 O2 5_665 . . . 15.30(18) ?
    Sr1 O3 C7 O2 5_665 . . . 15.30(18) ?
    Sr1 O3 C7 C6 . . . . 48.5(3) ?
    Ca1 O3 C7 C6 5_665 . . . -164.02(13) ?
    Sr1 O3 C7 C6 5_665 . . . -164.02(13) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -147.4(2) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -147.4(2) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 O3 5_665 . . . -14.34(17) ?
    Sr1 O2 C7 O3 5_665 . . . -14.34(17) ?
    Ca1 O2 C7 C6 5_665 . . . 164.99(14) ?
    Sr1 O2 C7 C6 5_665 . . . 164.99(14) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C5 C6 C7 O3 . . . . 19.4(3) ?
    C1 C6 C7 O3 . . . . -160.11(16) ?
    C5 C6 C7 O2 . . . . -159.97(17) ?
    C1 C6 C7 O2 . . . . 20.6(3) ?
    C5 C6 C7 Ca1 . . . 5_665 -57.2(6) ?
    C1 C6 C7 Ca1 . . . 5_665 123.3(4) ?
    C5 C6 C7 Sr1 . . . 5_665 -57.2(6) ?
    C1 C6 C7 Sr1 . . . 5_665 123.3(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.89(3) 1.84(3) 2.6031(17) 142(2)
    O1W H1W O1 7 0.88(3) 1.94(3) 2.8244(18) 173(2)
    O1W H2W O2 1_554 0.85(3) 2.06(3) 2.911(2) 178(2)
data_CaSr1090
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ca0.17 O8 Sr0.83'
_chemical_formula_sum     'C14 H14 Ca0.17 O8 Sr0.83'
_chemical_formula_iupac     '[Ca0.17 Sr0.83 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     390.00
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.6693(9)
_cell_length_b     11.4865(7)
_cell_length_c     7.8446(4)
_cell_angle_alpha     90
_cell_angle_beta     91.510(5)
_cell_angle_gamma     90
_cell_volume     1501.50(14)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5187
_cell_measurement_theta_min     3.3432
_cell_measurement_theta_max     29.7741
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.06
_exptl_crystal_density_diffrn     1.725
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     788
_exptl_absorpt_coefficient_mu     3.106
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.46220
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8538
_diffrn_reflns_av_R_equivalents     0.0440
_diffrn_reflns_theta_min     3.350
_diffrn_reflns_theta_max     27.495
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1720
_reflns_number_gt     1589
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0322
_refine_ls_R_factor_gt     0.0274
_refine_ls_wR_factor_gt     0.0625
_refine_ls_wR_factor_ref     0.0645
_refine_ls_goodness_of_fit_ref     1.075
_refine_ls_restrained_S_all     1.075
_refine_ls_number_reflns     1720
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0342P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.699
_refine_diff_density_min     -0.479
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44477(2) -0.2500 0.01276(11) Uani d 0.835(5) . .
    Ca Ca1 0.5000 0.44477(2) -0.2500 0.01276(11) Uani d 0.165(5) . .
    O O1 0.25676(9) 0.25384(14) 0.26678(18) 0.0233(4) Uani d 1 . .
    O O2 0.37708(9) 0.39750(13) 0.26522(17) 0.0209(4) Uani d 1 . .
    O O3 0.45424(9) 0.39167(13) 0.04016(17) 0.0210(4) Uani d 1 . .
    O O1W 0.39510(10) 0.31466(16) -0.3837(2) 0.0290(4) Uani d 1 . .
    C C1 0.30050(12) 0.18684(18) 0.1590(2) 0.0181(4) Uani d 1 . .
    C C2 0.27068(14) 0.07795(19) 0.1142(3) 0.0234(5) Uani d 1 . .
    H H2 0.2203 0.0529 0.1544 0.028 Uiso calc 1 . .
    C C3 0.31465(15) 0.0064(2) 0.0112(3) 0.0267(5) Uani d 1 . .
    H H3 0.2947 -0.0688 -0.0172 0.032 Uiso calc 1 . .
    C C4 0.38764(15) 0.04259(19) -0.0520(3) 0.0279(5) Uani d 1 . .
    H H4 0.4178 -0.0079 -0.1217 0.033 Uiso calc 1 . .
    C C5 0.41582(13) 0.15248(19) -0.0125(3) 0.0229(5) Uani d 1 . .
    H H5 0.4651 0.1783 -0.0577 0.027 Uiso calc 1 . .
    C C6 0.37269(12) 0.22650(18) 0.0935(2) 0.0170(4) Uani d 1 . .
    C C7 0.40300(12) 0.34517(17) 0.1347(2) 0.0164(4) Uani d 1 . .
    H H1O 0.2833(18) 0.321(3) 0.279(4) 0.050(9) Uiso d 1 . .
    H H1W 0.353(2) 0.289(3) -0.350(4) 0.053(10) Uiso d 1 . .
    H H2W 0.3914(19) 0.335(2) -0.497(4) 0.054(9) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 2_654 2.4953(13) ?
    Sr1 O3 . 2.4953(13) ?
    Sr1 O1W 2_654 2.5091(17) ?
    Sr1 O1W . 2.5091(17) ?
    Sr1 O3 5_665 2.5990(14) ?
    Sr1 O3 6_565 2.5990(14) ?
    Sr1 O2 5_665 2.7400(15) ?
    Sr1 O2 6_565 2.7400(15) ?
    Sr1 C7 5_665 3.029(2) ?
    Sr1 C7 6_565 3.029(2) ?
    Sr1 Sr1 5_665 4.1224(2) ?
    Sr1 Ca1 5_665 4.1224(2) ?
    Sr1 H2W . 2.90(3) ?
    O1 C1 . 1.368(2) ?
    O1 H1O . 0.90(3) ?
    O2 C7 . 1.273(2) ?
    O2 Ca1 5_665 2.7400(15) ?
    O2 Sr1 5_665 2.7400(15) ?
    O3 C7 . 1.264(2) ?
    O3 Ca1 5_665 2.5990(14) ?
    O3 Sr1 5_665 2.5990(14) ?
    O1W H1W . 0.81(3) ?
    O1W H2W . 0.92(3) ?
    C1 C2 . 1.388(3) ?
    C1 C6 . 1.397(3) ?
    C2 C3 . 1.377(3) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.389(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.379(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.401(3) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.486(3) ?
    C7 Ca1 5_665 3.029(2) ?
    C7 Sr1 5_665 3.029(2) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 2_654 . 151.70(7) ?
    O3 Sr1 O1W 2_654 2_654 90.54(5) ?
    O3 Sr1 O1W . 2_654 72.51(5) ?
    O3 Sr1 O1W 2_654 . 72.51(5) ?
    O3 Sr1 O1W . . 90.54(5) ?
    O1W Sr1 O1W 2_654 . 106.88(8) ?
    O3 Sr1 O3 2_654 5_665 131.51(5) ?
    O3 Sr1 O3 . 5_665 71.98(5) ?
    O1W Sr1 O3 2_654 5_665 88.62(5) ?
    O1W Sr1 O3 . 5_665 152.26(5) ?
    O3 Sr1 O3 2_654 6_565 71.98(5) ?
    O3 Sr1 O3 . 6_565 131.51(5) ?
    O1W Sr1 O3 2_654 6_565 152.26(5) ?
    O1W Sr1 O3 . 6_565 88.63(5) ?
    O3 Sr1 O3 5_665 6_565 87.42(7) ?
    O3 Sr1 O2 2_654 5_665 82.82(5) ?
    O3 Sr1 O2 . 5_665 116.64(4) ?
    O1W Sr1 O2 2_654 5_665 84.17(5) ?
    O1W Sr1 O2 . 5_665 152.79(5) ?
    O3 Sr1 O2 5_665 5_665 48.88(4) ?
    O3 Sr1 O2 6_565 5_665 72.65(5) ?
    O3 Sr1 O2 2_654 6_565 116.64(4) ?
    O3 Sr1 O2 . 6_565 82.82(5) ?
    O1W Sr1 O2 2_654 6_565 152.79(5) ?
    O1W Sr1 O2 . 6_565 84.17(5) ?
    O3 Sr1 O2 5_665 6_565 72.65(5) ?
    O3 Sr1 O2 6_565 6_565 48.88(4) ?
    O2 Sr1 O2 5_665 6_565 97.22(6) ?
    O3 Sr1 C7 2_654 5_665 107.07(5) ?
    O3 Sr1 C7 . 5_665 95.50(5) ?
    O1W Sr1 C7 2_654 5_665 89.36(5) ?
    O1W Sr1 C7 . 5_665 163.72(6) ?
    O3 Sr1 C7 5_665 5_665 24.45(4) ?
    O3 Sr1 C7 6_565 5_665 76.05(5) ?
    O2 Sr1 C7 5_665 5_665 24.85(5) ?
    O2 Sr1 C7 6_565 5_665 81.62(5) ?
    O3 Sr1 C7 2_654 6_565 95.50(5) ?
    O3 Sr1 C7 . 6_565 107.07(5) ?
    O1W Sr1 C7 2_654 6_565 163.72(6) ?
    O1W Sr1 C7 . 6_565 89.36(5) ?
    O3 Sr1 C7 5_665 6_565 76.05(5) ?
    O3 Sr1 C7 6_565 6_565 24.45(4) ?
    O2 Sr1 C7 5_665 6_565 81.62(5) ?
    O2 Sr1 C7 6_565 6_565 24.85(5) ?
    C7 Sr1 C7 5_665 6_565 74.42(7) ?
    O3 Sr1 Sr1 2_654 5_665 161.96(3) ?
    O3 Sr1 Sr1 . 5_665 36.84(3) ?
    O1W Sr1 Sr1 2_654 5_665 78.63(4) ?
    O1W Sr1 Sr1 . 5_665 124.31(4) ?
    O3 Sr1 Sr1 5_665 5_665 35.14(3) ?
    O3 Sr1 Sr1 6_565 5_665 111.89(3) ?
    O2 Sr1 Sr1 5_665 5_665 81.76(3) ?
    O2 Sr1 Sr1 6_565 5_665 74.71(3) ?
    C7 Sr1 Sr1 5_665 5_665 58.94(4) ?
    C7 Sr1 Sr1 6_565 5_665 91.47(4) ?
    O3 Sr1 Ca1 2_654 5_665 161.96(3) ?
    O3 Sr1 Ca1 . 5_665 36.84(3) ?
    O1W Sr1 Ca1 2_654 5_665 78.63(4) ?
    O1W Sr1 Ca1 . 5_665 124.31(4) ?
    O3 Sr1 Ca1 5_665 5_665 35.14(3) ?
    O3 Sr1 Ca1 6_565 5_665 111.89(3) ?
    O2 Sr1 Ca1 5_665 5_665 81.76(3) ?
    O2 Sr1 Ca1 6_565 5_665 74.71(3) ?
    C7 Sr1 Ca1 5_665 5_665 58.94(4) ?
    C7 Sr1 Ca1 6_565 5_665 91.47(4) ?
    Sr1 Sr1 Ca1 5_665 5_665 0.0 ?
    O3 Sr1 H2W 2_654 . 59.1(6) ?
    O3 Sr1 H2W . . 107.5(6) ?
    O1W Sr1 H2W 2_654 . 115.8(6) ?
    O1W Sr1 H2W . . 17.6(6) ?
    O3 Sr1 H2W 5_665 . 154.7(6) ?
    O3 Sr1 H2W 6_565 . 74.1(6) ?
    O2 Sr1 H2W 5_665 . 135.4(6) ?
    O2 Sr1 H2W 6_565 . 82.1(6) ?
    C7 Sr1 H2W 5_665 . 149.8(6) ?
    C7 Sr1 H2W 6_565 . 80.2(6) ?
    Sr1 Sr1 H2W 5_665 . 138.8(6) ?
    Ca1 Sr1 H2W 5_665 . 138.8(6) ?
    C1 O1 H1O . . 106.4(19) ?
    C7 O2 Ca1 . 5_665 90.41(12) ?
    C7 O2 Sr1 . 5_665 90.41(12) ?
    Ca1 O2 Sr1 5_665 5_665 0.0 ?
    C7 O3 Sr1 . . 149.97(13) ?
    C7 O3 Ca1 . 5_665 97.22(11) ?
    Sr1 O3 Ca1 . 5_665 108.0 ?
    C7 O3 Sr1 . 5_665 97.22(11) ?
    Sr1 O3 Sr1 . 5_665 108.02(5) ?
    Ca1 O3 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 133(2) ?
    Sr1 O1W H2W . . 106.5(19) ?
    H1W O1W H2W . . 112(3) ?
    O1 C1 C2 . . 118.05(19) ?
    O1 C1 C6 . . 121.47(18) ?
    C2 C1 C6 . . 120.5(2) ?
    C3 C2 C1 . . 119.6(2) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 121.1(2) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.3(2) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.8(2) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C1 C6 C5 . . 118.74(19) ?
    C1 C6 C7 . . 120.69(18) ?
    C5 C6 C7 . . 120.58(18) ?
    O3 C7 O2 . . 121.42(19) ?
    O3 C7 C6 . . 119.43(17) ?
    O2 C7 C6 . . 119.16(17) ?
    O3 C7 Ca1 . 5_665 58.33(10) ?
    O2 C7 Ca1 . 5_665 64.75(11) ?
    C6 C7 Ca1 . 5_665 166.17(14) ?
    O3 C7 Sr1 . 5_665 58.33(10) ?
    O2 C7 Sr1 . 5_665 64.75(11) ?
    C6 C7 Sr1 . 5_665 166.17(14) ?
    Ca1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.54(19) ?
    C6 C1 C2 C3 . . . . 3.2(3) ?
    C1 C2 C3 C4 . . . . -1.5(3) ?
    C2 C3 C4 C5 . . . . -0.9(3) ?
    C3 C4 C5 C6 . . . . 1.5(3) ?
    O1 C1 C6 C5 . . . . 178.24(18) ?
    C2 C1 C6 C5 . . . . -2.5(3) ?
    O1 C1 C6 C7 . . . . -2.1(3) ?
    C2 C1 C6 C7 . . . . 177.16(18) ?
    C4 C5 C6 C1 . . . . 0.1(3) ?
    C4 C5 C6 C7 . . . . -179.5(2) ?
    Sr1 O3 C7 O2 . . . . -132.0(2) ?
    Ca1 O3 C7 O2 5_665 . . . 15.4(2) ?
    Sr1 O3 C7 O2 5_665 . . . 15.4(2) ?
    Sr1 O3 C7 C6 . . . . 48.5(4) ?
    Ca1 O3 C7 C6 5_665 . . . -164.14(15) ?
    Sr1 O3 C7 C6 5_665 . . . -164.14(15) ?
    Sr1 O3 C7 Ca1 . . . 5_665 -147.4(3) ?
    Sr1 O3 C7 Ca1 5_665 . . 5_665 0.000000 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -147.4(3) ?
    Ca1 O3 C7 Sr1 5_665 . . 5_665 0.000000 ?
    Ca1 O2 C7 O3 5_665 . . . -14.47(19) ?
    Sr1 O2 C7 O3 5_665 . . . -14.47(19) ?
    Ca1 O2 C7 C6 5_665 . . . 165.07(16) ?
    Sr1 O2 C7 C6 5_665 . . . 165.07(16) ?
    Sr1 O2 C7 Ca1 5_665 . . 5_665 0.0 ?
    Ca1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C1 C6 C7 O3 . . . . -160.15(18) ?
    C5 C6 C7 O3 . . . . 19.5(3) ?
    C1 C6 C7 O2 . . . . 20.3(3) ?
    C5 C6 C7 O2 . . . . -160.04(19) ?
    C1 C6 C7 Ca1 . . . 5_665 123.2(5) ?
    C5 C6 C7 Ca1 . . . 5_665 -57.2(6) ?
    C1 C6 C7 Sr1 . . . 5_665 123.2(5) ?
    C5 C6 C7 Sr1 . . . 5_665 -57.2(6) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.90(3) 1.80(3) 2.597(2) 147(3)
    O1W H1W O1 7 0.81(3) 2.03(3) 2.827(2) 173(3)
    O1W H2W O2 1_554 0.92(3) 2.01(3) 2.921(2) 173(3)
data_Sr100
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquastrontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 O8 Sr'
_chemical_formula_sum     'C14 H14 O8 Sr'
_chemical_formula_iupac     '[Sr (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     397.87
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.7182(6)
_cell_length_b     11.4644(4)
_cell_length_c     7.8627(3)
_cell_angle_alpha     90
_cell_angle_beta     91.660(3)
_cell_angle_gamma     90
_cell_volume     1506.37(9)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1700
_cell_measurement_theta_min     5.2860
_cell_measurement_theta_max     65.9120
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.6
_exptl_crystal_size_mid     0.5
_exptl_crystal_size_min     0.2
_exptl_crystal_density_diffrn     1.754
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     800
_exptl_absorpt_coefficient_mu     5.364
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
[CrysAlis PRO (Oxford Diffraction, 2010), based on expressions derived
by Clark & Reid (1995)]
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.120
_exptl_absorpt_correction_T_max     0.461
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_measurement_device_type     'Oxford Diffraction Gemini S'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     2454
_diffrn_reflns_av_R_equivalents     0.0162
_diffrn_reflns_theta_min     5.294
_diffrn_reflns_theta_max     65.603
_diffrn_reflns_theta_full     65.603
_diffrn_measured_fraction_theta_max     0.975
_diffrn_measured_fraction_theta_full     0.975
_diffrn_reflns_limit_h_min     -19
_diffrn_reflns_limit_h_max     19
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -5
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1272
_reflns_number_gt     1259
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0276
_refine_ls_R_factor_gt     0.0273
_refine_ls_wR_factor_gt     0.0730
_refine_ls_wR_factor_ref     0.0732
_refine_ls_goodness_of_fit_ref     1.172
_refine_ls_restrained_S_all     1.172
_refine_ls_number_reflns     1272
_refine_ls_number_parameters     118
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0464P)²+2.8711P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.683
_refine_diff_density_min     -0.493
_refine_ls_extinction_method
;
SHELXL-2014/7 (Sheldrick 2015
;
_refine_ls_extinction_coef     0.0030(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -0.3528 1.8200
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0181 0.0091
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.44431(2) -0.2500 0.00935(19) Uani d 1 . .
    O O1 0.25630(11) 0.25371(16) 0.2660(2) 0.0170(4) Uani d 1 . .
    O O2 0.37709(10) 0.39712(15) 0.2644(2) 0.0140(4) Uani d 1 . .
    O O3 0.45408(10) 0.39012(16) 0.0409(2) 0.0143(4) Uani d 1 . .
    O O1W 0.39465(12) 0.31301(18) -0.3853(3) 0.0200(4) Uani d 1 . .
    C C1 0.29980(15) 0.1867(2) 0.1585(3) 0.0130(5) Uani d 1 . .
    C C2 0.26953(17) 0.0777(2) 0.1141(4) 0.0173(6) Uani d 1 . .
    H H2 0.2193 0.0529 0.1544 0.021 Uiso calc 1 . .
    C C3 0.31329(18) 0.0055(2) 0.0107(4) 0.0198(6) Uani d 1 . .
    H H3 0.2932 -0.0696 -0.0182 0.024 Uiso calc 1 . .
    C C4 0.3864(2) 0.0415(2) -0.0518(4) 0.0212(6) Uani d 1 . .
    H H4 0.4165 -0.0092 -0.1211 0.025 Uiso calc 1 . .
    C C5 0.41481(17) 0.1514(2) -0.0121(3) 0.0166(6) Uani d 1 . .
    H H5 0.4639 0.1770 -0.0569 0.020 Uiso calc 1 . .
    C C6 0.37212(15) 0.2254(2) 0.0934(3) 0.0124(5) Uani d 1 . .
    C C7 0.40301(15) 0.3448(2) 0.1348(3) 0.0114(5) Uani d 1 . .
    H H1O 0.279(2) 0.317(2) 0.279(5) 0.031(10) Uiso d 1 . .
    H H1W 0.3533(15) 0.289(3) -0.344(4) 0.029(10) Uiso d 1 . .
    H H2W 0.391(2) 0.336(3) -0.487(3) 0.030(10) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 . 2.5116(17) ?
    Sr1 O3 2_654 2.5116(17) ?
    Sr1 O1W . 2.528(2) ?
    Sr1 O1W 2_654 2.528(2) ?
    Sr1 O3 5_665 2.6120(17) ?
    Sr1 O3 6_565 2.6120(17) ?
    Sr1 O2 5_665 2.7484(17) ?
    Sr1 O2 6_565 2.7484(17) ?
    Sr1 C7 5_665 3.035(3) ?
    Sr1 C7 6_565 3.035(3) ?
    Sr1 Sr1 5_665 4.1335(2) ?
    Sr1 Sr1 5_664 4.1335(2) ?
    Sr1 H2W . 2.86(3) ?
    O1 C1 . 1.367(3) ?
    O1 H1O . 0.825(19) ?
    O2 C7 . 1.270(3) ?
    O2 Sr1 5_665 2.7484(17) ?
    O3 C7 . 1.257(3) ?
    O3 Sr1 5_665 2.6121(17) ?
    O1W H1W . 0.819(19) ?
    O1W H2W . 0.841(19) ?
    C1 C2 . 1.389(4) ?
    C1 C6 . 1.399(4) ?
    C2 C3 . 1.384(4) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.393(4) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.379(4) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.397(4) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.496(4) ?
    C7 Sr1 5_665 3.035(3) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 . 2_654 151.36(8) ?
    O3 Sr1 O1W . . 90.48(6) ?
    O3 Sr1 O1W 2_654 . 72.37(6) ?
    O3 Sr1 O1W . 2_654 72.37(6) ?
    O3 Sr1 O1W 2_654 2_654 90.48(6) ?
    O1W Sr1 O1W . 2_654 106.92(10) ?
    O3 Sr1 O3 . 5_665 72.46(6) ?
    O3 Sr1 O3 2_654 5_665 131.37(6) ?
    O1W Sr1 O3 . 5_665 152.38(6) ?
    O1W Sr1 O3 2_654 5_665 88.82(6) ?
    O3 Sr1 O3 . 6_565 131.37(6) ?
    O3 Sr1 O3 2_654 6_565 72.46(6) ?
    O1W Sr1 O3 . 6_565 88.82(6) ?
    O1W Sr1 O3 2_654 6_565 152.38(6) ?
    O3 Sr1 O3 5_665 6_565 86.78(8) ?
    O3 Sr1 O2 . 5_665 116.73(5) ?
    O3 Sr1 O2 2_654 5_665 82.96(5) ?
    O1W Sr1 O2 . 5_665 152.75(6) ?
    O1W Sr1 O2 2_654 5_665 84.18(6) ?
    O3 Sr1 O2 5_665 5_665 48.61(5) ?
    O3 Sr1 O2 6_565 5_665 72.53(5) ?
    O3 Sr1 O2 . 6_565 82.96(5) ?
    O3 Sr1 O2 2_654 6_565 116.73(5) ?
    O1W Sr1 O2 . 6_565 84.18(6) ?
    O1W Sr1 O2 2_654 6_565 152.75(6) ?
    O3 Sr1 O2 5_665 6_565 72.53(5) ?
    O3 Sr1 O2 6_565 6_565 48.61(5) ?
    O2 Sr1 O2 5_665 6_565 97.18(7) ?
    O3 Sr1 C7 . 5_665 95.74(6) ?
    O3 Sr1 C7 2_654 5_665 107.11(6) ?
    O1W Sr1 C7 . 5_665 163.67(7) ?
    O1W Sr1 C7 2_654 5_665 89.37(6) ?
    O3 Sr1 C7 5_665 5_665 24.27(6) ?
    O3 Sr1 C7 6_565 5_665 75.74(6) ?
    O2 Sr1 C7 5_665 5_665 24.74(6) ?
    O2 Sr1 C7 6_565 5_665 81.62(6) ?
    O3 Sr1 C7 . 6_565 107.11(6) ?
    O3 Sr1 C7 2_654 6_565 95.74(6) ?
    O1W Sr1 C7 . 6_565 89.37(6) ?
    O1W Sr1 C7 2_654 6_565 163.67(7) ?
    O3 Sr1 C7 5_665 6_565 75.74(6) ?
    O3 Sr1 C7 6_565 6_565 24.27(6) ?
    O2 Sr1 C7 5_665 6_565 81.62(6) ?
    O2 Sr1 C7 6_565 6_565 24.74(6) ?
    C7 Sr1 C7 5_665 6_565 74.37(9) ?
    O3 Sr1 Sr1 . 5_665 37.05(4) ?
    O3 Sr1 Sr1 2_654 5_665 161.98(4) ?
    O1W Sr1 Sr1 . 5_665 124.40(4) ?
    O1W Sr1 Sr1 2_654 5_665 78.63(5) ?
    O3 Sr1 Sr1 5_665 5_665 35.40(4) ?
    O3 Sr1 Sr1 6_565 5_665 111.47(4) ?
    O2 Sr1 Sr1 5_665 5_665 81.70(4) ?
    O2 Sr1 Sr1 6_565 5_665 74.68(4) ?
    C7 Sr1 Sr1 5_665 5_665 58.98(5) ?
    C7 Sr1 Sr1 6_565 5_665 91.32(5) ?
    O3 Sr1 Sr1 . 5_664 161.98(4) ?
    O3 Sr1 Sr1 2_654 5_664 37.05(4) ?
    O1W Sr1 Sr1 . 5_664 78.63(5) ?
    O1W Sr1 Sr1 2_654 5_664 124.40(4) ?
    O3 Sr1 Sr1 5_665 5_664 111.47(4) ?
    O3 Sr1 Sr1 6_565 5_664 35.40(4) ?
    O2 Sr1 Sr1 5_665 5_664 74.68(4) ?
    O2 Sr1 Sr1 6_565 5_664 81.70(4) ?
    C7 Sr1 Sr1 5_665 5_664 91.32(5) ?
    C7 Sr1 Sr1 6_565 5_664 58.98(5) ?
    Sr1 Sr1 Sr1 5_665 5_664 144.010(14) ?
    O3 Sr1 H2W . . 106.2(5) ?
    O3 Sr1 H2W 2_654 . 60.4(6) ?
    O1W Sr1 H2W . . 16.6(5) ?
    O1W Sr1 H2W 2_654 . 116.2(7) ?
    O3 Sr1 H2W 5_665 . 153.8(7) ?
    O3 Sr1 H2W 6_565 . 74.6(6) ?
    O2 Sr1 H2W 5_665 . 136.6(5) ?
    O2 Sr1 H2W 6_565 . 81.3(7) ?
    C7 Sr1 H2W 5_665 . 150.2(6) ?
    C7 Sr1 H2W 6_565 . 79.9(7) ?
    Sr1 Sr1 H2W 5_665 . 137.4(6) ?
    Sr1 Sr1 H2W 5_664 . 62.1(5) ?
    C1 O1 H1O . . 109(3) ?
    C7 O2 Sr1 . 5_665 90.36(14) ?
    C7 O3 Sr1 . . 150.19(16) ?
    C7 O3 Sr1 . 5_665 97.06(15) ?
    Sr1 O3 Sr1 . 5_665 107.54(6) ?
    Sr1 O1W H1W . . 128(3) ?
    Sr1 O1W H2W . . 104(2) ?
    H1W O1W H2W . . 116(4) ?
    O1 C1 C2 . . 117.7(2) ?
    O1 C1 C6 . . 121.9(2) ?
    C2 C1 C6 . . 120.4(2) ?
    C3 C2 C1 . . 119.4(3) ?
    C3 C2 H2 . . 120.3 ?
    C1 C2 H2 . . 120.3 ?
    C2 C3 C4 . . 121.0(3) ?
    C2 C3 H3 . . 119.5 ?
    C4 C3 H3 . . 119.5 ?
    C5 C4 C3 . . 119.4(3) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C4 C5 C6 . . 120.7(3) ?
    C4 C5 H5 . . 119.6 ?
    C6 C5 H5 . . 119.6 ?
    C5 C6 C1 . . 119.1(2) ?
    C5 C6 C7 . . 120.4(2) ?
    C1 C6 C7 . . 120.5(2) ?
    O3 C7 O2 . . 122.0(2) ?
    O3 C7 C6 . . 119.1(2) ?
    O2 C7 C6 . . 118.9(2) ?
    O3 C7 Sr1 . 5_665 58.66(13) ?
    O2 C7 Sr1 . 5_665 64.90(13) ?
    C6 C7 Sr1 . 5_665 166.48(17) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -177.6(2) ?
    C6 C1 C2 C3 . . . . 2.8(4) ?
    C1 C2 C3 C4 . . . . -1.1(4) ?
    C2 C3 C4 C5 . . . . -1.1(4) ?
    C3 C4 C5 C6 . . . . 1.7(4) ?
    C4 C5 C6 C1 . . . . -0.1(4) ?
    C4 C5 C6 C7 . . . . -179.5(3) ?
    O1 C1 C6 C5 . . . . 178.2(2) ?
    C2 C1 C6 C5 . . . . -2.2(4) ?
    O1 C1 C6 C7 . . . . -2.3(4) ?
    C2 C1 C6 C7 . . . . 177.3(2) ?
    Sr1 O3 C7 O2 . . . . -130.7(3) ?
    Sr1 O3 C7 O2 5_665 . . . 15.1(3) ?
    Sr1 O3 C7 C6 . . . . 49.6(4) ?
    Sr1 O3 C7 C6 5_665 . . . -164.54(19) ?
    Sr1 O3 C7 Sr1 . . . 5_665 -145.8(3) ?
    Sr1 O2 C7 O3 5_665 . . . -14.2(2) ?
    Sr1 O2 C7 C6 5_665 . . . 165.4(2) ?
    C5 C6 C7 O3 . . . . 19.3(4) ?
    C1 C6 C7 O3 . . . . -160.1(2) ?
    C5 C6 C7 O2 . . . . -160.3(2) ?
    C1 C6 C7 O2 . . . . 20.2(4) ?
    C5 C6 C7 Sr1 . . . 5_665 -57.5(8) ?
    C1 C6 C7 Sr1 . . . 5_665 123.1(7) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1O O2 . 0.825(19) 1.89(3) 2.604(2) 145(4)
    O1W H1W O1 7 0.819(19) 2.010(19) 2.823(3) 172(4)
    O1W H2W O2 1_554 0.841(19) 2.084(19) 2.925(3) 178(4)
data_SrBa
_audit_creation_method     'SHELXL-2014/7'
_chemical_name_systematic
;\
catena-Poly[[diaquabarium(II)/strontium(II)]-bis(μ₂-2-\
hydroxybenzoato)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H14 Ba0.27 O8 Sr0.73'
_chemical_formula_sum     'C14 H14 Ba0.27 O8 Sr0.73'
_chemical_formula_iupac     '[Ba0.27 Sr0.73 (C7 H5 O3)2 (H2 O)2]'
_chemical_formula_weight     411.35
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     16.8381(7)
_cell_length_b     11.4349(5)
_cell_length_c     7.9433(3)
_cell_angle_alpha     90
_cell_angle_beta     91.280(4)
_cell_angle_gamma     90
_cell_volume     1529.04(11)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     7047
_cell_measurement_theta_min     3.3221
_cell_measurement_theta_max     29.8304
_cell_measurement_temperature     150(2)
_exptl_crystal_description     'cut prism '
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.28
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.787
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     820
_exptl_absorpt_coefficient_mu     3.314
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.72829
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method     'omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10452
_diffrn_reflns_av_R_equivalents     0.0330
_diffrn_reflns_theta_min     3.329
_diffrn_reflns_theta_max     27.490
_diffrn_reflns_theta_full     27.000
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_refine_special_details     ?
_reflns_number_total     1754
_reflns_number_gt     1685
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0227
_refine_ls_R_factor_gt     0.0207
_refine_ls_wR_factor_gt     0.0434
_refine_ls_wR_factor_ref     0.0439
_refine_ls_goodness_of_fit_ref     1.171
_refine_ls_restrained_S_all     1.171
_refine_ls_number_reflns     1754
_refine_ls_number_parameters     118
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0132P)²+1.6161P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.350
_refine_diff_density_min     -0.315
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ba' 'Ba' -0.3244 2.2819
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1994)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.5000 0.43902(2) -0.2500 0.01477(7) Uani d 0.729(4) . .
    Ba Ba1 0.5000 0.43902(2) -0.2500 0.01477(7) Uani d 0.271(4) . .
    O O1 0.25640(8) 0.25403(12) 0.26510(18) 0.0233(3) Uani d 1 . .
    O O2 0.37639(8) 0.39626(11) 0.26415(17) 0.0215(3) Uani d 1 . .
    O O1W 0.39280(9) 0.31015(15) -0.3903(2) 0.0335(4) Uani d 1 . .
    O O3 0.45452(8) 0.38793(11) 0.04491(18) 0.0233(3) Uani d 1 . .
    C C1 0.29899(10) 0.18637(16) 0.1589(2) 0.0175(4) Uani d 1 . .
    C C2 0.26877(12) 0.07775(16) 0.1138(2) 0.0226(4) Uani d 1 . .
    H H2 0.2188 0.0530 0.1541 0.027 Uiso calc 1 . .
    C C3 0.31155(13) 0.00609(18) 0.0105(3) 0.0267(5) Uani d 1 . .
    H H3 0.2908 -0.0685 -0.0195 0.032 Uiso calc 1 . .
    C C4 0.38438(13) 0.04069(17) -0.0508(3) 0.0276(5) Uani d 1 . .
    H H4 0.4139 -0.0103 -0.1201 0.033 Uiso calc 1 . .
    C C5 0.41326(11) 0.14997(17) -0.0100(2) 0.0223(4) Uani d 1 . .
    H H5 0.4625 0.1748 -0.0539 0.027 Uiso calc 1 . .
    C C6 0.37156(11) 0.22479(15) 0.0947(2) 0.0172(4) Uani d 1 . .
    C C7 0.40255(10) 0.34315(16) 0.1364(2) 0.0176(4) Uani d 1 . .
    H H1W 0.3492(17) 0.287(2) -0.361(3) 0.048(8) Uiso d 1 . .
    H H2W 0.3864(16) 0.326(2) -0.495(4) 0.048(8) Uiso d 1 . .
    H H7 0.2843(16) 0.319(2) 0.285(3) 0.052(8) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sr1 O3 2_654 2.5486(13) ?
    Sr1 O3 . 2.5486(13) ?
    Sr1 O1W 2_654 2.5654(17) ?
    Sr1 O1W . 2.5655(17) ?
    Sr1 O3 5_665 2.6647(13) ?
    Sr1 O3 6_565 2.6647(13) ?
    Sr1 O2 5_665 2.8113(13) ?
    Sr1 O2 6_565 2.8113(13) ?
    Sr1 C7 5_665 3.1056(18) ?
    Sr1 C7 6_565 3.1056(18) ?
    Sr1 Ba1 5_665 4.2094(2) ?
    Sr1 Sr1 5_665 4.2094(2) ?
    O1 C1 . 1.361(2) ?
    O1 H7 . 0.89(3) ?
    O2 C7 . 1.270(2) ?
    O2 Ba1 5_665 2.8112(13) ?
    O2 Sr1 5_665 2.8112(13) ?
    O1W H1W . 0.82(3) ?
    O1W H2W . 0.86(3) ?
    O3 C7 . 1.259(2) ?
    O3 Ba1 5_665 2.6646(13) ?
    O3 Sr1 5_665 2.6646(13) ?
    C1 C2 . 1.386(3) ?
    C1 C6 . 1.405(2) ?
    C2 C3 . 1.375(3) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.387(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.377(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.394(3) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.485(2) ?
    C7 Ba1 5_665 3.1056(18) ?
    C7 Sr1 5_665 3.1056(18) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3 Sr1 O3 2_654 . 153.49(6) ?
    O3 Sr1 O1W 2_654 2_654 92.55(5) ?
    O3 Sr1 O1W . 2_654 72.06(5) ?
    O3 Sr1 O1W 2_654 . 72.06(5) ?
    O3 Sr1 O1W . . 92.56(5) ?
    O1W Sr1 O1W 2_654 . 109.88(8) ?
    O3 Sr1 O3 2_654 5_665 130.09(4) ?
    O3 Sr1 O3 . 5_665 72.33(4) ?
    O1W Sr1 O3 2_654 5_665 88.35(5) ?
    O1W Sr1 O3 . 5_665 151.87(5) ?
    O3 Sr1 O3 2_654 6_565 72.33(4) ?
    O3 Sr1 O3 . 6_565 130.09(4) ?
    O1W Sr1 O3 2_654 6_565 151.87(5) ?
    O1W Sr1 O3 . 6_565 88.35(5) ?
    O3 Sr1 O3 5_665 6_565 84.09(6) ?
    O3 Sr1 O2 2_654 5_665 83.05(4) ?
    O3 Sr1 O2 . 5_665 115.36(4) ?
    O1W Sr1 O2 2_654 5_665 83.56(5) ?
    O1W Sr1 O2 . 5_665 151.87(5) ?
    O3 Sr1 O2 5_665 5_665 47.47(4) ?
    O3 Sr1 O2 6_565 5_665 71.39(4) ?
    O3 Sr1 O2 2_654 6_565 115.36(4) ?
    O3 Sr1 O2 . 6_565 83.05(4) ?
    O1W Sr1 O2 2_654 6_565 151.87(5) ?
    O1W Sr1 O2 . 6_565 83.56(5) ?
    O3 Sr1 O2 5_665 6_565 71.39(4) ?
    O3 Sr1 O2 6_565 6_565 47.47(4) ?
    O2 Sr1 O2 5_665 6_565 95.86(5) ?
    O3 Sr1 C7 2_654 5_665 106.46(5) ?
    O3 Sr1 C7 . 5_665 94.84(5) ?
    O1W Sr1 C7 2_654 5_665 88.42(5) ?
    O1W Sr1 C7 . 5_665 161.62(5) ?
    O3 Sr1 C7 5_665 5_665 23.65(4) ?
    O3 Sr1 C7 6_565 5_665 74.03(5) ?
    O2 Sr1 C7 5_665 5_665 24.14(4) ?
    O2 Sr1 C7 6_565 5_665 80.67(4) ?
    O3 Sr1 C7 2_654 6_565 94.84(5) ?
    O3 Sr1 C7 . 6_565 106.46(5) ?
    O1W Sr1 C7 2_654 6_565 161.62(5) ?
    O1W Sr1 C7 . 6_565 88.42(5) ?
    O3 Sr1 C7 5_665 6_565 74.03(5) ?
    O3 Sr1 C7 6_565 6_565 23.65(4) ?
    O2 Sr1 C7 5_665 6_565 80.67(4) ?
    O2 Sr1 C7 6_565 6_565 24.14(4) ?
    C7 Sr1 C7 5_665 6_565 73.35(7) ?
    O3 Sr1 Ba1 2_654 5_665 161.72(3) ?
    O3 Sr1 Ba1 . 5_665 37.10(3) ?
    O1W Sr1 Ba1 2_654 5_665 78.19(4) ?
    O1W Sr1 Ba1 . 5_665 125.82(4) ?
    O3 Sr1 Ba1 5_665 5_665 35.23(3) ?
    O3 Sr1 Ba1 6_565 5_665 108.95(3) ?
    O2 Sr1 Ba1 5_665 5_665 80.29(3) ?
    O2 Sr1 Ba1 6_565 5_665 74.02(3) ?
    C7 Sr1 Ba1 5_665 5_665 58.08(3) ?
    C7 Sr1 Ba1 6_565 5_665 89.85(4) ?
    O3 Sr1 Sr1 2_654 5_665 161.72(3) ?
    O3 Sr1 Sr1 . 5_665 37.10(3) ?
    O1W Sr1 Sr1 2_654 5_665 78.19(4) ?
    O1W Sr1 Sr1 . 5_665 125.82(4) ?
    O3 Sr1 Sr1 5_665 5_665 35.23(3) ?
    O3 Sr1 Sr1 6_565 5_665 108.95(3) ?
    O2 Sr1 Sr1 5_665 5_665 80.29(3) ?
    O2 Sr1 Sr1 6_565 5_665 74.02(3) ?
    C7 Sr1 Sr1 5_665 5_665 58.08(3) ?
    C7 Sr1 Sr1 6_565 5_665 89.85(4) ?
    Ba1 Sr1 Sr1 5_665 5_665 0.0 ?
    C1 O1 H7 . . 107.6(18) ?
    C7 O2 Ba1 . 5_665 91.03(10) ?
    C7 O2 Sr1 . 5_665 91.03(10) ?
    Ba1 O2 Sr1 5_665 5_665 0.0 ?
    Sr1 O1W H1W . . 133.7(19) ?
    Sr1 O1W H2W . . 111.9(18) ?
    H1W O1W H2W . . 104(3) ?
    C7 O3 Sr1 . . 148.31(13) ?
    C7 O3 Ba1 . 5_665 98.23(11) ?
    Sr1 O3 Ba1 . 5_665 107.7 ?
    C7 O3 Sr1 . 5_665 98.23(11) ?
    Sr1 O3 Sr1 . 5_665 107.67(4) ?
    Ba1 O3 Sr1 5_665 5_665 0.0 ?
    O1 C1 C2 . . 118.31(16) ?
    O1 C1 C6 . . 121.46(16) ?
    C2 C1 C6 . . 120.24(17) ?
    C3 C2 C1 . . 119.61(18) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 121.24(18) ?
    C2 C3 H3 . . 119.4 ?
    C4 C3 H3 . . 119.4 ?
    C5 C4 C3 . . 119.10(19) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    C4 C5 C6 . . 121.18(18) ?
    C4 C5 H5 . . 119.4 ?
    C6 C5 H5 . . 119.4 ?
    C5 C6 C1 . . 118.58(17) ?
    C5 C6 C7 . . 120.86(16) ?
    C1 C6 C7 . . 120.55(16) ?
    O3 C7 O2 . . 121.66(17) ?
    O3 C7 C6 . . 119.18(16) ?
    O2 C7 C6 . . 119.16(16) ?
    O3 C7 Ba1 . 5_665 58.12(9) ?
    O2 C7 Ba1 . 5_665 64.83(9) ?
    C6 C7 Ba1 . 5_665 167.51(12) ?
    O3 C7 Sr1 . 5_665 58.12(9) ?
    O2 C7 Sr1 . 5_665 64.83(9) ?
    C6 C7 Sr1 . 5_665 167.51(12) ?
    Ba1 C7 Sr1 5_665 5_665 0.0 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -178.19(18) ?
    C6 C1 C2 C3 . . . . 2.2(3) ?
    C1 C2 C3 C4 . . . . -0.5(3) ?
    C2 C3 C4 C5 . . . . -1.4(3) ?
    C3 C4 C5 C6 . . . . 1.6(3) ?
    C4 C5 C6 C1 . . . . 0.2(3) ?
    C4 C5 C6 C7 . . . . -179.17(19) ?
    O1 C1 C6 C5 . . . . 178.34(17) ?
    C2 C1 C6 C5 . . . . -2.1(3) ?
    O1 C1 C6 C7 . . . . -2.3(3) ?
    C2 C1 C6 C7 . . . . 177.26(17) ?
    Sr1 O3 C7 O2 . . . . -131.29(19) ?
    Ba1 O3 C7 O2 5_665 . . . 13.61(19) ?
    Sr1 O3 C7 O2 5_665 . . . 13.61(19) ?
    Sr1 O3 C7 C6 . . . . 49.3(3) ?
    Ba1 O3 C7 C6 5_665 . . . -165.83(14) ?
    Sr1 O3 C7 C6 5_665 . . . -165.83(14) ?
    Sr1 O3 C7 Ba1 . . . 5_665 -144.9(2) ?
    Sr1 O3 C7 Ba1 5_665 . . 5_665 0.0 ?
    Sr1 O3 C7 Sr1 . . . 5_665 -144.9(2) ?
    Ba1 O3 C7 Sr1 5_665 . . 5_665 0.0 ?
    Ba1 O2 C7 O3 5_665 . . . -12.76(18) ?
    Sr1 O2 C7 O3 5_665 . . . -12.76(18) ?
    Ba1 O2 C7 C6 5_665 . . . 166.69(15) ?
    Sr1 O2 C7 C6 5_665 . . . 166.69(15) ?
    Sr1 O2 C7 Ba1 5_665 . . 5_665 0.0 ?
    Ba1 O2 C7 Sr1 5_665 . . 5_665 0.0 ?
    C5 C6 C7 O3 . . . . 18.5(3) ?
    C1 C6 C7 O3 . . . . -160.87(18) ?
    C5 C6 C7 O2 . . . . -161.00(18) ?
    C1 C6 C7 O2 . . . . 19.7(3) ?
    C5 C6 C7 Ba1 . . . 5_665 -55.5(7) ?
    C1 C6 C7 Ba1 . . . 5_665 125.1(5) ?
    C5 C6 C7 Sr1 . . . 5_665 -55.5(7) ?
    C1 C6 C7 Sr1 . . . 5_665 125.1(5) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H7 O2 . 0.89(3) 1.80(3) 2.5938(18) 148(3)
    O1W H1W O1 7 0.82(3) 2.00(3) 2.820(2) 172(3)
    O1W H2W O2 1_554 0.86(3) 2.08(3) 2.923(2) 169(3)
data_global
_journal_date_recd_electronic     2017-11-21
_journal_date_accepted     2017-12-20
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2018
_journal_volume     74
_journal_issue      2
_journal_page_first     131
_journal_page_last     138
_journal_paper_category     FA
_journal_paper_doi     10.1107/S2053229617018265
_journal_coeditor_code     EG3233
_publ_contact_author_name     'Alan R. Kennedy'
_publ_contact_author_address
;
Westchem, Department of Pure & Applied Chemistry
University of Strathclyde
295 Cathedral Street
Glasgow G1 1XL
Scotland
;
_publ_contact_author_email     a.r.kennedy@strath.ac.uk
_publ_contact_author_fax     ?
_publ_contact_author_phone     '0141 548 2016'
_publ_section_title
;
Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous
solubility
;
loop_
    _publ_author_name
    _publ_author_address
    'Allan, Pamela'
;
Westchem, Department of Pure & Applied Chemistry
University of Strathclyde
295 Cathedral Street
Glasgow G1 1XL
Scotland
;
    'Arlin, John-Baptiste'
;
Westchem, Department of Pure & Applied Chemistry
University of Strathclyde
295 Cathedral Street
Glasgow G1 1XL
Scotland
;
    'Kennedy, Alan R.'
;
Westchem, Department of Pure & Applied Chemistry
University of Strathclyde
295 Cathedral Street
Glasgow G1 1XL
Scotland
;
    'Walls, Aiden'
;
Westchem, Department of Pure & Applied Chemistry
University of Strathclyde
295 Cathedral Street
Glasgow G1 1XL
Scotland
;
_publ_section_synopsis
;
A series of mixed-metal Ca/Sr and Sr/Ba salts of salicylate is presented. The
a and c axes increase in length with increasing amounts of the
larger cations, but the b axis contracts slightly. The aqueous
solubility of the Ca/Sr series increases with increasing Sr content.
;
