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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
4,4'-Bipyridindiium triaquabis(pyridine-2,6-dicarboxylato)strontium(II)
trihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     ?
_chemical_formula_sum     'C24 H28 N4 O14 Sr'
_chemical_formula_iupac     '(C10 H10 N2) [Sr (C7 H3 N O4)2 (H2 O)3], 3H2 O'
_chemical_formula_weight     684.12
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     6.99940(10)
_cell_length_b     11.6876(2)
_cell_length_c     17.9748(3)
_cell_angle_alpha     104.1200(10)
_cell_angle_beta     100.9750(10)
_cell_angle_gamma     95.9010(10)
_cell_volume     1382.63(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     19317
_cell_measurement_theta_min     2.39
_cell_measurement_theta_max     30.60
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.49
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.643
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     700
_exptl_absorpt_coefficient_mu     2.029
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1998)'
_exptl_absorpt_correction_T_min     0.4363
_exptl_absorpt_correction_T_max     0.7372
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART 1000'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     100
_diffrn_reflns_number     32412
_diffrn_reflns_av_R_equivalents     0.0177
_diffrn_reflns_av_sigmaI/netI     0.0225
_diffrn_reflns_theta_min     1.20
_diffrn_reflns_theta_max     36.03
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.857
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -19
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -27
_diffrn_reflns_limit_l_max     27
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     11270
_reflns_number_gt     10117
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0329
_refine_ls_R_factor_gt     0.0267
_refine_ls_wR_factor_gt     0.0674
_refine_ls_wR_factor_ref     0.0739
_refine_ls_goodness_of_fit_ref     1.065
_refine_ls_restrained_S_all     1.065
_refine_ls_number_reflns     11270
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0371P)²+0.5264P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     <0.001
_refine_diff_density_max     0.547
_refine_diff_density_min     -0.455
_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
    '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'
    'N' 'N' 0.0061 0.0033
                         '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'
    'Sr' 'Sr' -1.5307 3.2498
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1998)'
_computing_cell_refinement     SMART
_computing_data_reduction     'SAINT (Bruker, 1998)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 2005)'
_computing_publication_material     SHELXTL
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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sr Sr1 0.307652(15) 0.128882(9) 0.237424(6) 0.01445(3) Uani d . 1 . .
    O O1 0.60785(14) 0.00307(8) 0.24267(5) 0.02076(16) Uani d . 1 . .
    O O1S 0.32246(19) 0.72765(10) 0.27767(8) 0.0391(3) Uani d . 1 . .
    H H1A 0.4569 0.7223 0.2961 0.047 Uiso d R 1 . .
    H H1B 0.2497 0.6507 0.2622 0.047 Uiso d R 1 . .
    O O2 0.82991(15) -0.08672(9) 0.30428(6) 0.02578(19) Uani d . 1 . .
    O O2S -0.26586(17) 0.49429(9) 0.23393(7) 0.0313(2) Uani d . 1 . .
    H H2B -0.1292 0.5007 0.2344 0.038 Uiso d R 1 . .
    H H2A -0.2676 0.5677 0.2707 0.038 Uiso d R 1 . .
    O O3 0.22149(14) 0.25616(9) 0.50121(5) 0.02306(18) Uani d . 1 . .
    O O3S 0.71963(18) -0.29136(9) 0.34024(6) 0.0293(2) Uani d . 1 . .
    H H3A 0.7463 -0.2663 0.3961 0.035 Uiso d R 1 . .
    H H3B 0.7656 -0.2212 0.3270 0.035 Uiso d R 1 . .
    O O4 0.18013(14) 0.20685(10) 0.37060(5) 0.02483(19) Uani d . 1 . .
    O O5 0.26973(16) 0.35859(9) 0.26076(6) 0.0273(2) Uani d . 1 . .
    O O6 0.11805(17) 0.50023(9) 0.22108(8) 0.0351(3) Uani d . 1 . .
    O O7 0.24198(16) -0.03028(9) -0.03564(5) 0.02638(19) Uani d . 1 . .
    O O8 0.31399(14) 0.00750(8) 0.09486(5) 0.01968(16) Uani d . 1 . .
    O O9 0.63918(15) 0.25817(9) 0.23992(7) 0.0274(2) Uani d . 1 . .
    H H9A 0.7511 0.2240 0.2284 0.033 Uiso d R 1 . .
    H H9B 0.6671 0.3385 0.2378 0.033 Uiso d R 1 . .
    O O10 0.14922(15) -0.08710(9) 0.23239(7) 0.0273(2) Uani d . 1 . .
    H H10B 0.2128 -0.1501 0.2450 0.033 Uiso d R 1 . .
    H H10A 0.0341 -0.0885 0.2531 0.033 Uiso d R 1 . .
    O O11 -0.08144(13) 0.10537(9) 0.19017(5) 0.02129(17) Uani d . 1 . .
    H H11B -0.1249 0.0785 0.1345 0.026 Uiso d R 1 . .
    H H11A -0.1589 0.0581 0.2131 0.026 Uiso d R 1 . .
    N N1 0.50015(14) 0.09789(9) 0.37780(6) 0.01496(16) Uani d . 1 . .
    N N2 0.20743(15) 0.22243(8) 0.11289(6) 0.01635(17) Uani d . 1 . .
    N N3 0.91685(15) 0.35890(9) 0.49464(6) 0.01948(18) Uani d . 1 . .
    H H3C 1.0254 0.3163 0.4964 0.023 Uiso d R 1 . .
    N N4 0.41975(17) 0.79713(9) 0.05747(7) 0.0220(2) Uani d . 1 . .
    H H4C 0.3948 0.8769 0.0730 0.026 Uiso d R 1 . .
    C C1 0.70090(17) -0.01926(10) 0.30273(7) 0.01692(19) Uani d . 1 . .
    C C2 0.65680(16) 0.04143(10) 0.38089(7) 0.01547(18) Uani d . 1 . .
    C C3 0.77792(18) 0.03998(12) 0.45150(7) 0.0205(2) Uani d . 1 . .
    H H3 0.8856 -0.0005 0.4516 0.025 Uiso calc R 1 . .
    C C4 0.73572(18) 0.09976(12) 0.52175(7) 0.0212(2) Uani d . 1 . .
    H H4 0.8165 0.1020 0.5698 0.025 Uiso calc R 1 . .
    C C5 0.57031(18) 0.15618(11) 0.51890(7) 0.0178(2) Uani d . 1 . .
    H H5 0.5369 0.1960 0.5650 0.021 Uiso calc R 1 . .
    C C6 0.45556(16) 0.15184(10) 0.44566(7) 0.01495(18) Uani d . 1 . .
    C C7 0.27066(17) 0.20877(10) 0.43679(7) 0.01640(19) Uani d . 1 . .
    C C8 0.18459(19) 0.40237(11) 0.20962(8) 0.0221(2) Uani d . 1 . .
    C C9 0.15631(17) 0.33162(10) 0.12402(8) 0.0192(2) Uani d . 1 . .
    C C10 0.0827(2) 0.37711(12) 0.06158(9) 0.0253(2) Uani d . 1 . .
    H H10 0.0496 0.4536 0.0709 0.030 Uiso calc R 1 . .
    C C11 0.0593(2) 0.30680(13) -0.01467(9) 0.0258(3) Uani d . 1 . .
    H H11 0.0097 0.3354 -0.0572 0.031 Uiso calc R 1 . .
    C C12 0.11055(19) 0.19322(12) -0.02696(8) 0.0215(2) Uani d . 1 . .
    H H12 0.0952 0.1439 -0.0775 0.026 Uiso calc R 1 . .
    C C13 0.18595(17) 0.15537(10) 0.03903(7) 0.01627(19) Uani d . 1 . .
    C C14 0.25074(17) 0.03444(10) 0.03112(7) 0.01667(19) Uani d . 1 . .
    C C15 0.58895(16) 0.47071(10) 0.49884(7) 0.01624(19) Uani d . 1 . .
    C C16 0.71839(18) 0.47043(11) 0.56843(7) 0.0204(2) Uani d . 1 . .
    H H16 0.6959 0.5088 0.6170 0.024 Uiso calc R 1 . .
    C C17 0.87996(18) 0.41260(12) 0.56417(8) 0.0211(2) Uani d . 1 . .
    H H17 0.9647 0.4109 0.6104 0.025 Uiso calc R 1 . .
    C C19 0.79738(18) 0.35895(11) 0.42720(7) 0.0195(2) Uani d . 1 . .
    H H19 0.8260 0.3213 0.3796 0.023 Uiso calc R 1 . .
    C C20 0.63196(17) 0.41406(11) 0.42711(7) 0.0186(2) Uani d . 1 . .
    H H20 0.5498 0.4136 0.3798 0.022 Uiso calc R 1 . .
    C C21 0.4775(3) 0.74127(12) 0.11225(9) 0.0314(3) Uani d . 1 . .
    H H21 0.4966 0.7818 0.1651 0.038 Uiso calc R 1 . .
    C C22 0.5096(3) 0.62398(12) 0.09167(8) 0.0312(3) Uani d . 1 . .
    H H22 0.5489 0.5858 0.1305 0.037 Uiso calc R 1 . .
    C C23 0.48263(19) 0.56312(10) 0.01228(8) 0.0202(2) Uani d . 1 . .
    C C24 0.42385(19) 0.62453(11) -0.04326(8) 0.0210(2) Uani d . 1 . .
    H H24 0.4050 0.5869 -0.0966 0.025 Uiso calc R 1 . .
    C C25 0.39352(19) 0.74164(11) -0.01906(8) 0.0219(2) Uani d . 1 . .
    H H25 0.3544 0.7823 -0.0564 0.026 Uiso calc R 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 O8 . 2.6199(9) y
    Sr1 O9 . 2.6223(10) y
    Sr1 O10 . 2.6239(10) y
    Sr1 O11 . 2.6580(9) y
    Sr1 O5 . 2.6633(10) y
    Sr1 O1 . 2.6858(9) y
    Sr1 O4 . 2.6970(9) y
    Sr1 N2 . 2.7299(10) y
    Sr1 N1 . 2.7504(10) y
    O1 C1 . 1.2499(15) ?
    O1S H1A . 0.9500 ?
    O1S H1B . 0.9352 ?
    O2 C1 . 1.2591(14) ?
    O2S H2B . 0.9500 ?
    O2S H2A . 0.9499 ?
    O3 C7 . 1.2821(14) ?
    O3S H3A . 0.9501 ?
    O3S H3B . 0.9500 ?
    O4 C7 . 1.2307(15) ?
    O5 C8 . 1.2433(17) ?
    O6 C8 . 1.2643(15) ?
    O7 C14 . 1.2391(14) ?
    O8 C14 . 1.2725(14) ?
    O9 H9A . 0.9500 ?
    O9 H9B . 0.9501 ?
    O10 H10B . 0.9500 ?
    O10 H10A . 0.9501 ?
    O11 H11B . 0.9501 ?
    O11 H11A . 0.9500 ?
    N1 C2 . 1.3358(14) ?
    N1 C6 . 1.3390(14) ?
    N2 C13 . 1.3386(15) ?
    N2 C9 . 1.3391(15) ?
    N3 C19 . 1.3353(16) ?
    N3 C17 . 1.3401(16) ?
    N3 H3C . 0.9500 ?
    N4 C21 . 1.3327(19) ?
    N4 C25 . 1.3382(17) ?
    N4 H4C . 0.9500 ?
    C1 C2 . 1.5153(16) ?
    C2 C3 . 1.3907(16) ?
    C3 C4 . 1.3870(17) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.3888(17) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.3920(16) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.5143(15) ?
    C8 C9 . 1.5230(18) ?
    C9 C10 . 1.3911(18) ?
    C10 C11 . 1.385(2) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.3874(19) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.3952(16) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.5105(16) ?
    C15 C16 . 1.3988(17) ?
    C15 C20 . 1.4012(16) ?
    C15 C15 2_666 1.484(2) ?
    C16 C17 . 1.3807(16) ?
    C16 H16 . 0.9300 ?
    C17 H17 . 0.9300 ?
    C19 C20 . 1.3816(16) ?
    C19 H19 . 0.9300 ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.3835(19) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.3973(18) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.3910(18) ?
    C23 C23 2_665 1.493(2) ?
    C24 C25 . 1.3827(17) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 0.9300 ?
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
    O8 Sr1 O9 . . 87.77(3) ?
    O8 Sr1 O10 . . 77.70(3) y
    O9 Sr1 O10 . . 143.16(3) ?
    O8 Sr1 O11 . . 87.84(3) y
    O9 Sr1 O11 . . 143.04(3) ?
    O10 Sr1 O11 . . 70.77(3) y
    O8 Sr1 O5 . . 117.81(3) ?
    O9 Sr1 O5 . . 69.08(3) y
    O10 Sr1 O5 . . 147.32(3) ?
    O11 Sr1 O5 . . 80.80(3) ?
    O8 Sr1 O1 . . 70.16(3) ?
    O9 Sr1 O1 . . 68.30(3) ?
    O10 Sr1 O1 . . 74.93(3) ?
    O11 Sr1 O1 . . 142.46(3) ?
    O5 Sr1 O1 . . 136.17(3) ?
    O8 Sr1 O4 . . 160.45(3) ?
    O9 Sr1 O4 . . 111.64(3) ?
    O10 Sr1 O4 . . 87.33(3) ?
    O11 Sr1 O4 . . 75.27(3) ?
    O5 Sr1 O4 . . 69.72(3) ?
    O1 Sr1 O4 . . 118.22(3) y
    O8 Sr1 N2 . . 59.48(3) ?
    O9 Sr1 N2 . . 77.25(3) ?
    O10 Sr1 N2 . . 120.88(3) ?
    O11 Sr1 N2 . . 69.00(3) ?
    O5 Sr1 N2 . . 59.38(3) ?
    O1 Sr1 N2 . . 119.01(3) y
    O4 Sr1 N2 . . 120.81(3) y
    O8 Sr1 N1 . . 127.75(3) ?
    O9 Sr1 N1 . . 85.89(3) y
    O10 Sr1 N1 . . 77.18(3) ?
    O11 Sr1 N1 . . 124.65(3) ?
    O5 Sr1 N1 . . 107.88(3) y
    O1 Sr1 N1 . . 59.37(3) ?
    O4 Sr1 N1 . . 59.06(3) ?
    N2 Sr1 N1 . . 161.65(3) ?
    C1 O1 Sr1 . . 125.70(7) ?
    H1A O1S H1B . . 108.4 ?
    H2B O2S H2A . . 100.3 ?
    H3A O3S H3B . . 102.8 ?
    C7 O4 Sr1 . . 124.53(8) ?
    C8 O5 Sr1 . . 124.51(8) ?
    C14 O8 Sr1 . . 126.81(7) ?
    Sr1 O9 H9A . . 122.7 ?
    Sr1 O9 H9B . . 131.0 ?
    H9A O9 H9B . . 104.4 ?
    Sr1 O10 H10B . . 128.6 ?
    Sr1 O10 H10A . . 113.2 ?
    H10B O10 H10A . . 106.2 ?
    Sr1 O11 H11B . . 112.5 ?
    Sr1 O11 H11A . . 117.0 ?
    H11B O11 H11A . . 108.8 ?
    C2 N1 C6 . . 118.24(10) ?
    C2 N1 Sr1 . . 120.39(7) ?
    C6 N1 Sr1 . . 120.81(7) ?
    C13 N2 C9 . . 118.47(10) ?
    C13 N2 Sr1 . . 120.70(7) ?
    C9 N2 Sr1 . . 120.37(8) ?
    C19 N3 C17 . . 120.93(10) ?
    C19 N3 H3C . . 122.7 ?
    C17 N3 H3C . . 116.2 ?
    C21 N4 C25 . . 120.82(11) ?
    C21 N4 H4C . . 119.5 ?
    C25 N4 H4C . . 119.6 ?
    O1 C1 O2 . . 125.84(11) ?
    O1 C1 C2 . . 117.22(10) ?
    O2 C1 C2 . . 116.93(11) ?
    N1 C2 C3 . . 122.62(10) ?
    N1 C2 C1 . . 116.49(10) ?
    C3 C2 C1 . . 120.87(10) ?
    C4 C3 C2 . . 119.01(10) ?
    C4 C3 H3 . . 120.5 ?
    C2 C3 H3 . . 120.5 ?
    C3 C4 C5 . . 118.61(11) ?
    C3 C4 H4 . . 120.7 ?
    C5 C4 H4 . . 120.7 ?
    C4 C5 C6 . . 118.60(10) ?
    C4 C5 H5 . . 120.7 ?
    C6 C5 H5 . . 120.7 ?
    N1 C6 C5 . . 122.84(10) ?
    N1 C6 C7 . . 114.85(10) ?
    C5 C6 C7 . . 122.31(10) ?
    O4 C7 O3 . . 125.13(11) ?
    O4 C7 C6 . . 119.40(10) ?
    O3 C7 C6 . . 115.48(10) ?
    O5 C8 O6 . . 126.75(13) ?
    O5 C8 C9 . . 117.22(10) ?
    O6 C8 C9 . . 116.02(12) ?
    N2 C9 C10 . . 122.18(12) ?
    N2 C9 C8 . . 115.40(11) ?
    C10 C9 C8 . . 122.43(11) ?
    C11 C10 C9 . . 119.02(12) ?
    C11 C10 H10 . . 120.5 ?
    C9 C10 H10 . . 120.5 ?
    C10 C11 C12 . . 119.34(12) ?
    C10 C11 H11 . . 120.3 ?
    C12 C11 H11 . . 120.3 ?
    C11 C12 C13 . . 117.86(12) ?
    C11 C12 H12 . . 121.1 ?
    C13 C12 H12 . . 121.1 ?
    N2 C13 C12 . . 123.13(11) ?
    N2 C13 C14 . . 115.44(10) ?
    C12 C13 C14 . . 121.43(11) ?
    O7 C14 O8 . . 124.69(11) ?
    O7 C14 C13 . . 118.75(10) ?
    O8 C14 C13 . . 116.55(10) ?
    C16 C15 C20 . . 118.14(10) ?
    C16 C15 C15 . 2_666 120.77(13) ?
    C20 C15 C15 . 2_666 121.09(13) ?
    C17 C16 C15 . . 119.27(11) ?
    C17 C16 H16 . . 120.4 ?
    C15 C16 H16 . . 120.4 ?
    N3 C17 C16 . . 121.18(11) ?
    N3 C17 H17 . . 119.4 ?
    C16 C17 H17 . . 119.4 ?
    N3 C19 C20 . . 120.96(11) ?
    N3 C19 H19 . . 119.5 ?
    C20 C19 H19 . . 119.5 ?
    C19 C20 C15 . . 119.50(11) ?
    C19 C20 H20 . . 120.2 ?
    C15 C20 H20 . . 120.2 ?
    N4 C21 C22 . . 121.02(13) ?
    N4 C21 H21 . . 119.5 ?
    C22 C21 H21 . . 119.5 ?
    C21 C22 C23 . . 119.67(13) ?
    C21 C22 H22 . . 120.2 ?
    C23 C22 H22 . . 120.2 ?
    C24 C23 C22 . . 117.74(11) ?
    C24 C23 C23 . 2_665 121.00(14) ?
    C22 C23 C23 . 2_665 121.26(15) ?
    C25 C24 C23 . . 119.94(12) ?
    C25 C24 H24 . . 120.0 ?
    C23 C24 H24 . . 120.0 ?
    N4 C25 C24 . . 120.81(12) ?
    N4 C25 H25 . . 119.6 ?
    C24 C25 H25 . . 119.6 ?
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
    O8 Sr1 O1 C1 . . . . -163.64(10) ?
    O9 Sr1 O1 C1 . . . . 100.68(10) ?
    O10 Sr1 O1 C1 . . . . -81.53(10) ?
    O11 Sr1 O1 C1 . . . . -106.00(10) ?
    O5 Sr1 O1 C1 . . . . 86.46(10) ?
    O4 Sr1 O1 C1 . . . . -3.02(11) ?
    N2 Sr1 O1 C1 . . . . 161.19(9) ?
    N1 Sr1 O1 C1 . . . . 2.29(9) ?
    O8 Sr1 O4 C7 . . . . 125.26(11) ?
    O9 Sr1 O4 C7 . . . . -62.04(11) ?
    O10 Sr1 O4 C7 . . . . 85.47(11) ?
    O11 Sr1 O4 C7 . . . . 156.28(11) ?
    O5 Sr1 O4 C7 . . . . -118.26(11) ?
    O1 Sr1 O4 C7 . . . . 14.16(12) ?
    N2 Sr1 O4 C7 . . . . -149.76(10) ?
    N1 Sr1 O4 C7 . . . . 8.83(10) ?
    O8 Sr1 O5 C8 . . . . 28.13(12) ?
    O9 Sr1 O5 C8 . . . . 103.72(11) ?
    O10 Sr1 O5 C8 . . . . -83.98(12) ?
    O11 Sr1 O5 C8 . . . . -54.48(11) ?
    O1 Sr1 O5 C8 . . . . 117.86(10) ?
    O4 Sr1 O5 C8 . . . . -132.08(11) ?
    N2 Sr1 O5 C8 . . . . 16.49(10) ?
    N1 Sr1 O5 C8 . . . . -178.05(10) ?
    O9 Sr1 O8 C14 . . . . -84.81(10) ?
    O10 Sr1 O8 C14 . . . . 129.27(10) ?
    O11 Sr1 O8 C14 . . . . 58.49(10) ?
    O5 Sr1 O8 C14 . . . . -19.93(11) ?
    O1 Sr1 O8 C14 . . . . -152.51(10) ?
    O4 Sr1 O8 C14 . . . . 88.40(13) ?
    N2 Sr1 O8 C14 . . . . -8.31(9) ?
    N1 Sr1 O8 C14 . . . . -167.86(9) ?
    O8 Sr1 N1 C2 . . . . 20.85(10) ?
    O9 Sr1 N1 C2 . . . . -63.12(9) ?
    O10 Sr1 N1 C2 . . . . 83.95(9) ?
    O11 Sr1 N1 C2 . . . . 139.34(8) ?
    O5 Sr1 N1 C2 . . . . -129.58(8) ?
    O1 Sr1 N1 C2 . . . . 4.04(8) ?
    O4 Sr1 N1 C2 . . . . 178.58(10) ?
    N2 Sr1 N1 C2 . . . . -86.25(12) ?
    O8 Sr1 N1 C6 . . . . -167.81(8) ?
    O9 Sr1 N1 C6 . . . . 108.22(9) ?
    O10 Sr1 N1 C6 . . . . -104.72(9) ?
    O11 Sr1 N1 C6 . . . . -49.32(9) ?
    O5 Sr1 N1 C6 . . . . 41.75(9) ?
    O1 Sr1 N1 C6 . . . . 175.37(10) ?
    O4 Sr1 N1 C6 . . . . -10.08(8) ?
    N2 Sr1 N1 C6 . . . . 85.09(12) ?
    O8 Sr1 N2 C13 . . . . 8.61(8) ?
    O9 Sr1 N2 C13 . . . . 103.60(9) ?
    O10 Sr1 N2 C13 . . . . -41.56(9) ?
    O11 Sr1 N2 C13 . . . . -91.73(9) ?
    O5 Sr1 N2 C13 . . . . 176.66(10) ?
    O1 Sr1 N2 C13 . . . . 47.58(9) ?
    O4 Sr1 N2 C13 . . . . -148.63(8) ?
    N1 Sr1 N2 C13 . . . . 127.28(10) ?
    O8 Sr1 N2 C9 . . . . -179.30(10) ?
    O9 Sr1 N2 C9 . . . . -84.30(9) ?
    O10 Sr1 N2 C9 . . . . 130.54(8) ?
    O11 Sr1 N2 C9 . . . . 80.37(9) ?
    O5 Sr1 N2 C9 . . . . -11.25(8) ?
    O1 Sr1 N2 C9 . . . . -140.32(8) ?
    O4 Sr1 N2 C9 . . . . 23.47(10) ?
    N1 Sr1 N2 C9 . . . . -60.62(14) ?
    Sr1 O1 C1 O2 . . . . 173.40(9) ?
    Sr1 O1 C1 C2 . . . . -7.47(15) ?
    C6 N1 C2 C3 . . . . -2.12(17) ?
    Sr1 N1 C2 C3 . . . . 169.43(9) ?
    C6 N1 C2 C1 . . . . 179.50(10) ?
    Sr1 N1 C2 C1 . . . . -8.94(13) ?
    O1 C1 C2 N1 . . . . 10.68(16) ?
    O2 C1 C2 N1 . . . . -170.11(11) ?
    O1 C1 C2 C3 . . . . -167.72(11) ?
    O2 C1 C2 C3 . . . . 11.49(17) ?
    N1 C2 C3 C4 . . . . -0.27(19) ?
    C1 C2 C3 C4 . . . . 178.03(11) ?
    C2 C3 C4 C5 . . . . 1.79(19) ?
    C3 C4 C5 C6 . . . . -0.94(19) ?
    C2 N1 C6 C5 . . . . 3.04(17) ?
    Sr1 N1 C6 C5 . . . . -168.47(9) ?
    C2 N1 C6 C7 . . . . -177.30(10) ?
    Sr1 N1 C6 C7 . . . . 11.18(13) ?
    C4 C5 C6 N1 . . . . -1.53(18) ?
    C4 C5 C6 C7 . . . . 178.85(11) ?
    Sr1 O4 C7 O3 . . . . 172.81(9) ?
    Sr1 O4 C7 C6 . . . . -7.15(16) ?
    N1 C6 C7 O4 . . . . -2.99(16) ?
    C5 C6 C7 O4 . . . . 176.66(12) ?
    N1 C6 C7 O3 . . . . 177.05(10) ?
    C5 C6 C7 O3 . . . . -3.29(17) ?
    Sr1 O5 C8 O6 . . . . 160.40(11) ?
    Sr1 O5 C8 C9 . . . . -19.52(16) ?
    C13 N2 C9 C10 . . . . -0.18(18) ?
    Sr1 N2 C9 C10 . . . . -172.45(9) ?
    C13 N2 C9 C8 . . . . 179.89(10) ?
    Sr1 N2 C9 C8 . . . . 7.62(13) ?
    O5 C8 C9 N2 . . . . 7.03(17) ?
    O6 C8 C9 N2 . . . . -172.89(11) ?
    O5 C8 C9 C10 . . . . -172.90(12) ?
    O6 C8 C9 C10 . . . . 7.17(18) ?
    N2 C9 C10 C11 . . . . 0.7(2) ?
    C8 C9 C10 C11 . . . . -179.34(12) ?
    C9 C10 C11 C12 . . . . -0.3(2) ?
    C10 C11 C12 C13 . . . . -0.60(19) ?
    C9 N2 C13 C12 . . . . -0.81(17) ?
    Sr1 N2 C13 C12 . . . . 171.43(9) ?
    C9 N2 C13 C14 . . . . 178.74(10) ?
    Sr1 N2 C13 C14 . . . . -9.02(13) ?
    C11 C12 C13 N2 . . . . 1.20(18) ?
    C11 C12 C13 C14 . . . . -178.32(11) ?
    Sr1 O8 C14 O7 . . . . -173.87(9) ?
    Sr1 O8 C14 C13 . . . . 7.26(15) ?
    N2 C13 C14 O7 . . . . -177.24(11) ?
    C12 C13 C14 O7 . . . . 2.32(18) ?
    N2 C13 C14 O8 . . . . 1.70(16) ?
    C12 C13 C14 O8 . . . . -178.75(11) ?
    C20 C15 C16 C17 . . . . -1.47(18) ?
    C15 C15 C16 C17 2_666 . . . 178.44(14) ?
    C19 N3 C17 C16 . . . . -0.5(2) ?
    C15 C16 C17 N3 . . . . 1.3(2) ?
    C17 N3 C19 C20 . . . . -0.18(19) ?
    N3 C19 C20 C15 . . . . -0.01(19) ?
    C16 C15 C20 C19 . . . . 0.83(18) ?
    C15 C15 C20 C19 2_666 . . . -179.07(13) ?
    C25 N4 C21 C22 . . . . -0.8(2) ?
    N4 C21 C22 C23 . . . . 0.5(3) ?
    C21 C22 C23 C24 . . . . 0.0(2) ?
    C21 C22 C23 C23 . . . 2_665 179.49(17) ?
    C22 C23 C24 C25 . . . . -0.2(2) ?
    C23 C23 C24 C25 2_665 . . . -179.68(14) ?
    C21 N4 C25 C24 . . . . 0.6(2) ?
    C23 C24 C25 N4 . . . . -0.1(2) ?
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
    O1S H1A O3S 1_565 0.95 1.90 2.8462(17) 175.3
    O1S H1B O6 . 0.94 1.81 2.7370(16) 173.0
    O2S H2B O6 . 0.95 1.79 2.7358(16) 171.9
    O2S H2A O3S 1_465 0.95 1.83 2.7800(15) 178.0
    O3S H3A O3 2_656 0.95 1.79 2.7216(14) 166.3
    O3S H3B O2 . 0.95 1.75 2.7016(15) 174.6
    O9 H9B O2S 1_655 0.95 1.85 2.8043(15) 177.2
    O10 H10B O1S 1_545 0.95 1.85 2.8008(15) 174.2
    O10 H10A O2 1_455 0.95 1.84 2.7864(14) 173.5
    O11 H11B O7 2 0.95 1.74 2.6773(13) 170.8
    O11 H11A O1 1_455 0.95 1.91 2.8013(13) 155.5
    O11 H11A O2 1_455 0.95 2.63 3.4752(14) 147.9
    N3 H3C O3 1_655 0.95 1.60 2.5500(13) 174.6
    N4 H4C O8 1_565 0.95 1.67 2.6081(13) 171.0
    N4 H4C O7 1_565 0.95 2.57 3.1285(15) 117.8
    C16 H16 O5 2_666 0.93 2.31 3.2097(16) 162
    C19 H19 O9 1_555 0.93 2.49 3.2130(17) 135
    C20 H20 O5 1_555 0.93 2.51 3.4087(16) 162
    C21 H21 O1 1_565 0.93 2.58 3.2867(18) 133
    C22 H22 O2S 1_655 0.93 2.57 3.4867(19) 167
    C24 H24 O2S 2_565 0.93 2.39 3.2888(18) 164
    C25 H25 O7 1_565 0.93 2.37 3.0280(17) 127
data_global
_journal_date_recd_electronic     2007-11-12
_journal_date_accepted     2007-11-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     12
_journal_page_first     m3089
_journal_page_last     m3090
_journal_paper_category     QM
_journal_coeditor_code     SU2021
_publ_contact_author_name     'Hossein Aghabozorg'
_publ_contact_author_address
;
Faculty of Chemistry, Teacher Training University, Tehran, Iran
;
_publ_contact_author_email     haghabozorg@yahoo.com
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
4,4'-Bipyridindiium triaquabis(pyridine-2,6-dicarboxylato)strontium(II)
trihydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Soleimannejad, Janet'
;
Faculty of Science, Department of Chemistry, Ilam University, Ilam, Iran
;
    'Aghabozorg, Hossein'
;
Faculty of Chemistry, Teacher Training University, Tehran, Iran
;
    'Shabnam Hooshman'
;
Faculty of Science, Department of Chemistry, Ilam University, Ilam, Iran
;
    'Adams, Harry'
;
Department of Chemistry, Sheffield University, Sheffield S3 7HF, England
;
