##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# 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 data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_chemical_name_systematic
;\
Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ²N:N']\
[μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ²O:O²]zinc(II)]
2.5 hydrate]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C26 H22 N4 O6 Zn, 2.5(H2 O)'
_chemical_formula_sum     'C26 H27 N4 O8.50 Zn'
_chemical_formula_iupac     '[Zn (C10 H6 O4) (C16 H16 N4 O2], 2.5H2 O'
_chemical_formula_weight     596.88
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.7753(7)
_cell_length_b     11.2349(8)
_cell_length_c     12.6422(9)
_cell_angle_alpha     90.9460(10)
_cell_angle_beta     111.5000(10)
_cell_angle_gamma     94.5860(10)
_cell_volume     1286.11(16)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9996
_cell_measurement_theta_min     2.249
_cell_measurement_theta_max     25.332
_cell_measurement_temperature     173.15
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.315
_exptl_crystal_size_mid     0.183
_exptl_crystal_size_min     0.115
_exptl_crystal_density_diffrn     1.541
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     618
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    0.00 -1.00 0.00 0.0360
    0.00 1.00 0.00 0.0570
    2.00 0.00 -1.00 0.1510
    -2.00 0.00 1.00 0.1190
    0.00 -1.00 1.00 0.0440
    0.00 1.00 -1.00 0.0760
    -1.00 2.00 0.00 0.0870
    0.00 1.00 2.00 0.0770
    0.00 -1.00 -2.00 0.0870
    2.00 -1.00 -1.00 0.1260
    2.00 0.00 1.00 0.1000
    -2.00 0.00 -1.00 0.0850
    -2.00 1.00 1.00 0.1130
    -2.00 2.00 -1.00 0.0800
    1.00 -1.00 0.00 0.0740
    0.00 -2.00 -1.00 0.0540
    -1.00 -1.00 -2.00 0.0650
    -1.00 -2.00 0.00 0.0570
_exptl_absorpt_coefficient_mu     1.016
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_absorpt_correction_T_min     0.6828
_exptl_absorpt_correction_T_max     0.7452
_diffrn_ambient_temperature     173.15
_diffrn_source     ?
_diffrn_source_power     0.0
_diffrn_source_voltage     0.0
_diffrn_source_current     0.0
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     21745
_diffrn_reflns_av_R_equivalents     0.0419
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_theta_min     1.733
_diffrn_reflns_theta_max     25.351
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_refine_special_details     ?
_reflns_number_total     4731
_reflns_number_gt     4072
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0498
_refine_ls_R_factor_gt     0.0417
_refine_ls_wR_factor_gt     0.1030
_refine_ls_wR_factor_ref     0.1094
_refine_ls_goodness_of_fit_ref     1.046
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     4731
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0576P)²+1.1933P] 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     0.588
_refine_diff_density_min     -0.444
_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'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
SAINT (Bruker, 2014)
;
_computing_cell_refinement
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT Bruker, 2014)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL  (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
CrystalMaker X (Palmer, 2020)
;
_computing_publication_material
;
Olex2 (Dolomanov et al.,  2009)
;
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
    Zn Zn1 -0.15546(3) 0.62686(3) 0.50462(3) 0.02129(12) Uani d 1 . .
    O O1 0.0637(2) 0.6167(2) 0.58481(18) 0.0335(5) Uani d 1 . .
    O O2 0.2592(2) 0.52624(16) 0.58582(16) 0.0243(4) Uani d 1 . .
    O O3 0.8181(2) 0.79023(17) 0.56657(17) 0.0267(4) Uani d 1 . .
    O O4 0.5903(2) 0.70545(17) 0.48281(17) 0.0280(4) Uani d 1 . .
    O O5 -0.1940(2) 0.3588(2) 0.99632(19) 0.0423(6) Uani d 1 . .
    O O6 -0.2907(3) 0.7848(3) -0.0556(2) 0.0754(10) Uani d 1 . .
    N N1 -0.1944(2) 0.5527(2) 0.64955(19) 0.0214(5) Uani d 1 . .
    N N2 -0.4061(3) 0.4473(2) 0.9549(2) 0.0343(6) Uani d 1 . .
    N N3 -0.1472(3) 0.7006(2) 0.3520(2) 0.0243(5) Uani d 1 A 1
    N N4 -0.0913(12) 0.9139(10) 0.0150(10) 0.055(2) Uani d 0.5 B 1
    N N4A -0.0617(12) 0.8707(10) 0.0061(10) 0.055(2) Uani d 0.5 B 2
    C C1 0.1968(3) 0.6189(3) 0.5937(2) 0.0229(6) Uani d 1 . .
    C C2 0.2851(3) 0.7357(3) 0.6161(2) 0.0269(6) Uani d 1 . .
    H H2 0.238736 0.804934 0.623152 0.032 Uiso calc 1 . .
    C C3 0.4259(3) 0.7495(2) 0.6269(2) 0.0230(6) Uani d 1 . .
    H H3 0.473237 0.679361 0.624748 0.028 Uiso calc 1 . .
    C C4 0.5140(3) 0.8655(2) 0.6420(2) 0.0230(6) Uani d 1 . .
    C C5 0.4832(3) 0.9620(3) 0.6986(3) 0.0316(7) Uani d 1 . .
    H H5 0.410901 0.949627 0.731975 0.038 Uiso calc 1 . .
    C C6 0.5551(3) 1.0745(3) 0.7070(3) 0.0340(7) Uani d 1 . .
    H H6 0.532354 1.138200 0.746211 0.041 Uiso calc 1 . .
    C C7 0.6603(3) 1.0948(3) 0.6585(3) 0.0301(7) Uani d 1 . .
    H H7 0.705651 1.173136 0.660143 0.036 Uiso calc 1 . .
    C C8 0.6988(3) 1.0000(2) 0.6077(2) 0.0247(6) Uani d 1 . .
    H H8 0.774332 1.013093 0.577604 0.030 Uiso calc 1 . .
    C C9 0.6284(3) 0.8850(2) 0.5999(2) 0.0199(5) Uani d 1 . .
    C C10 0.6782(3) 0.7860(2) 0.5446(2) 0.0217(6) Uani d 1 . .
    C C11 -0.3122(3) 0.4749(3) 0.6345(2) 0.0256(6) Uani d 1 . .
    H H11 -0.372659 0.446765 0.559249 0.031 Uiso calc 1 . .
    C C12 -0.3492(3) 0.4339(3) 0.7242(2) 0.0274(6) Uani d 1 . .
    H H12 -0.434016 0.379278 0.710359 0.033 Uiso calc 1 . .
    C C13 -0.2611(3) 0.4735(3) 0.8342(2) 0.0247(6) Uani d 1 . .
    C C14 -0.1389(3) 0.5547(3) 0.8502(2) 0.0285(6) Uani d 1 . .
    H H14 -0.076211 0.584059 0.924517 0.034 Uiso calc 1 . .
    C C15 -0.1109(3) 0.5916(3) 0.7564(2) 0.0258(6) Uani d 1 . .
    H H15 -0.027963 0.647579 0.767864 0.031 Uiso calc 1 . .
    C C16 -0.2858(3) 0.4230(3) 0.9354(2) 0.0280(6) Uani d 1 . .
    C C17 -0.5221(4) 0.5169(3) 0.8825(3) 0.0398(8) Uani d 1 . .
    H H17A -0.611224 0.462603 0.840273 0.048 Uiso calc 1 . .
    H H17B -0.488164 0.557330 0.826334 0.048 Uiso calc 1 . .
    C C18 -0.4399(4) 0.3913(3) 1.0475(3) 0.0393(8) Uani d 1 . .
    H H18A -0.353374 0.351967 1.096714 0.047 Uiso calc 1 . .
    H H18B -0.523926 0.329325 1.015340 0.047 Uiso calc 1 . .
    C C19 -0.2282(5) 0.7892(3) 0.3032(3) 0.0560(11) Uani d 1 . .
    H H19 -0.281012 0.826011 0.342737 0.067 Uiso calc 1 A 1
    C C20 -0.2390(5) 0.8297(4) 0.1985(4) 0.0632(12) Uani d 1 . .
    H H20 -0.300901 0.891042 0.166220 0.076 Uiso calc 1 . .
    C C21 -0.1611(3) 0.7821(3) 0.1415(3) 0.0333(7) Uani d 1 . .
    C C22 -0.0800(4) 0.6893(3) 0.1895(3) 0.0476(9) Uani d 1 . .
    H H22 -0.026352 0.651547 0.151260 0.057 Uiso calc 1 . .
    C C23 -0.0767(4) 0.6512(3) 0.2932(3) 0.0422(9) Uani d 1 . .
    H H23 -0.021078 0.586034 0.324248 0.051 Uiso calc 1 A 1
    C C24 -0.1805(4) 0.8208(3) 0.0238(3) 0.0427(8) Uani d 1 . .
    C C25 -0.1099(11) 0.9534(11) -0.1007(9) 0.055(2) Uani d 0.5 B 1
    H H25A -0.076411 0.891093 -0.139522 0.066 Uiso calc 0.5 B 1
    H H25B -0.216754 0.957040 -0.143984 0.066 Uiso calc 0.5 B 1
    C C25A 0.0797(12) 0.9105(10) 0.0941(10) 0.055(2) Uani d 0.5 B 2
    H H25C 0.162575 0.890943 0.071708 0.066 Uiso calc 0.5 B 2
    H H25D 0.090287 0.874146 0.167210 0.066 Uiso calc 0.5 B 2
    C C26 0.0516(12) 0.9594(10) 0.1064(10) 0.055(2) Uani d 0.5 B 1
    H H26C 0.033841 0.962963 0.178519 0.066 Uiso calc 0.5 B 1
    H H26D 0.121296 0.897875 0.113890 0.066 Uiso calc 0.5 B 1
    H H26A -0.181(11) 0.894(8) -0.158(8) 0.082 Uiso d 0.5 C 2
    H H26B 0.016(11) 0.886(8) -0.124(8) 0.082 Uiso d 0.5 D 2
    C C26A -0.0701(11) 0.9102(12) -0.1049(9) 0.055(2) Uani d 0.5 B 2
    O O1W 0.0231(8) 0.9573(7) 0.5214(8) 0.084(2) Uani d 0.5 E 1
    H H1WA -0.029169 0.917347 0.553973 0.126 Uiso d 0.5 E 1
    H H1WB -0.035607 0.958220 0.450405 0.126 Uiso d 0.5 E 1
    O O2W 0.0639(5) 0.9328(4) 0.6978(4) 0.0783(13) Uani d 0.75 F 2
    H H2WA -0.018142 0.889470 0.660137 0.117 Uiso d 0.75 F 2
    H H2WB 0.110935 0.899043 0.760734 0.117 Uiso d 0.75 F 2
    O O3W 0.2431(5) 0.8664(4) 0.9103(5) 0.1026(18) Uani d 0.75 G 2
    H H3WA 0.338476 0.865930 0.933176 0.154 Uiso d 0.75 G 2
    H H3WB 0.211426 0.792850 0.915446 0.154 Uiso d 0.75 G 2
    O O4W 0.5073(13) 0.9704(11) 0.9673(7) 0.117(4) Uani d 0.5 H 2
    H H4WA 0.569979 0.996946 0.937002 0.176 Uiso d 0.5 H 2
    H H4WB 0.520409 0.894976 0.975842 0.176 Uiso d 0.5 H 2
_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
    Zn1 O1 . 2.020(2) y
    Zn1 O2 2_566 2.0249(19) y
    Zn1 O3 1_455 2.0555(19) y
    Zn1 N1 . 2.169(2) y
    Zn1 N3 . 2.139(2) y
    O1 C1 . 1.262(3) ?
    O2 C1 . 1.269(3) ?
    O3 C10 . 1.289(3) ?
    O4 C10 . 1.236(3) ?
    O5 C16 . 1.238(4) ?
    O6 C24 . 1.207(4) ?
    N1 C11 . 1.341(4) ?
    N1 C15 . 1.341(4) ?
    N2 C16 . 1.334(4) ?
    N2 C17 . 1.462(4) ?
    N2 C18 . 1.466(4) ?
    N3 C19 . 1.337(4) ?
    N3 C23 . 1.326(4) ?
    N4 C24 . 1.340(13) ?
    N4 C25 . 1.486(10) ?
    N4 C26 . 1.494(10) ?
    N4A C24 . 1.343(12) ?
    N4A C25A . 1.451(10) ?
    N4A C26A . 1.454(10) ?
    C1 C2 . 1.475(4) ?
    C2 H2 . 0.9500 ?
    C2 C3 . 1.328(4) ?
    C3 H3 . 0.9500 ?
    C3 C4 . 1.473(4) ?
    C4 C5 . 1.400(4) ?
    C4 C9 . 1.409(4) ?
    C5 H5 . 0.9500 ?
    C5 C6 . 1.378(4) ?
    C6 H6 . 0.9500 ?
    C6 C7 . 1.384(4) ?
    C7 H7 . 0.9500 ?
    C7 C8 . 1.380(4) ?
    C8 H8 . 0.9500 ?
    C8 C9 . 1.398(4) ?
    C9 C10 . 1.508(4) ?
    C11 H11 . 0.9500 ?
    C11 C12 . 1.387(4) ?
    C12 H12 . 0.9500 ?
    C12 C13 . 1.384(4) ?
    C13 C14 . 1.394(4) ?
    C13 C16 . 1.499(4) ?
    C14 H14 . 0.9500 ?
    C14 C15 . 1.375(4) ?
    C15 H15 . 0.9500 ?
    C17 H17A . 0.9900 ?
    C17 H17B . 0.9900 ?
    C17 C18 2_467 1.502(5) ?
    C18 H18A . 0.9900 ?
    C18 H18B . 0.9900 ?
    C19 H19 . 0.9500 ?
    C19 C20 . 1.377(5) ?
    C20 H20 . 0.9500 ?
    C20 C21 . 1.357(5) ?
    C21 C22 . 1.373(5) ?
    C21 C24 . 1.506(4) ?
    C22 H22 . 0.9500 ?
    C22 C23 . 1.376(5) ?
    C23 H23 . 0.9500 ?
    C25 H25A . 0.9900 ?
    C25 H25B . 0.9900 ?
    C25 C26 2_575 1.11(2) ?
    C25A H25C . 0.9900 ?
    C25A H25D . 0.9900 ?
    C25A C26A 2_575 2.029(19) ?
    C26 H26C . 0.9900 ?
    C26 H26D . 0.9900 ?
    C26A H26A . 1.05(10) ?
    C26A H26B . 1.01(9) ?
    O1W H1WA . 0.8694 ?
    O1W H1WB . 0.8705 ?
    O2W H2WA . 0.8702 ?
    O2W H2WB . 0.8706 ?
    O3W H3WA . 0.8699 ?
    O3W H3WB . 0.8704 ?
    O4W H4WA . 0.8697 ?
    O4W H4WB . 0.8700 ?
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
    O1 Zn1 O2 . 2_566 112.24(8) y
    O1 Zn1 O3 . 1_455 101.58(8) y
    O1 Zn1 N1 . . 90.05(8) y
    O1 Zn1 N3 . . 97.32(9) y
    O2 Zn1 O3 2_566 1_455 145.68(8) y
    O2 Zn1 N1 2_566 . 87.90(8) y
    O2 Zn1 N3 2_566 . 89.27(8) y
    O3 Zn1 N1 1_455 . 86.39(8) y
    O3 Zn1 N3 1_455 . 92.14(8) y
    N3 Zn1 N1 . . 172.63(8) y
    C1 O1 Zn1 . . 156.27(19) ?
    C1 O2 Zn1 . 2_566 125.25(17) ?
    C10 O3 Zn1 . 1_655 103.62(16) ?
    C11 N1 Zn1 . . 120.68(18) ?
    C15 N1 Zn1 . . 121.34(18) ?
    C15 N1 C11 . . 117.6(2) ?
    C16 N2 C17 . . 125.3(2) ?
    C16 N2 C18 . . 120.2(3) ?
    C17 N2 C18 . . 114.1(2) ?
    C19 N3 Zn1 . . 121.5(2) ?
    C23 N3 Zn1 . . 121.7(2) ?
    C23 N3 C19 . . 116.3(3) ?
    C24 N4 C25 . . 118.1(8) ?
    C24 N4 C26 . . 124.7(7) ?
    C25 N4 C26 . . 114.8(6) ?
    C24 N4A C25A . . 125.6(7) ?
    C24 N4A C26A . . 122.0(7) ?
    C25A N4A C26A . . 111.6(6) ?
    O1 C1 O2 . . 123.7(3) ?
    O1 C1 C2 . . 118.1(3) ?
    O2 C1 C2 . . 118.2(2) ?
    C1 C2 H2 . . 118.2 ?
    C3 C2 C1 . . 123.7(3) ?
    C3 C2 H2 . . 118.2 ?
    C2 C3 H3 . . 117.6 ?
    C2 C3 C4 . . 124.8(3) ?
    C4 C3 H3 . . 117.6 ?
    C5 C4 C3 . . 119.7(3) ?
    C5 C4 C9 . . 117.7(3) ?
    C9 C4 C3 . . 122.6(2) ?
    C4 C5 H5 . . 119.1 ?
    C6 C5 C4 . . 121.7(3) ?
    C6 C5 H5 . . 119.1 ?
    C5 C6 H6 . . 119.9 ?
    C5 C6 C7 . . 120.2(3) ?
    C7 C6 H6 . . 119.9 ?
    C6 C7 H7 . . 120.3 ?
    C8 C7 C6 . . 119.4(3) ?
    C8 C7 H7 . . 120.3 ?
    C7 C8 H8 . . 119.5 ?
    C7 C8 C9 . . 121.1(3) ?
    C9 C8 H8 . . 119.5 ?
    C4 C9 C10 . . 122.4(2) ?
    C8 C9 C4 . . 119.7(2) ?
    C8 C9 C10 . . 117.9(2) ?
    O3 C10 C9 . . 115.8(2) ?
    O4 C10 O3 . . 122.2(2) ?
    O4 C10 C9 . . 122.0(2) ?
    N1 C11 H11 . . 118.6 ?
    N1 C11 C12 . . 122.7(3) ?
    C12 C11 H11 . . 118.6 ?
    C11 C12 H12 . . 120.4 ?
    C13 C12 C11 . . 119.1(3) ?
    C13 C12 H12 . . 120.4 ?
    C12 C13 C14 . . 118.4(3) ?
    C12 C13 C16 . . 121.7(3) ?
    C14 C13 C16 . . 119.7(3) ?
    C13 C14 H14 . . 120.6 ?
    C15 C14 C13 . . 118.8(3) ?
    C15 C14 H14 . . 120.6 ?
    N1 C15 C14 . . 123.4(3) ?
    N1 C15 H15 . . 118.3 ?
    C14 C15 H15 . . 118.3 ?
    O5 C16 N2 . . 123.0(3) ?
    O5 C16 C13 . . 118.1(3) ?
    N2 C16 C13 . . 118.9(3) ?
    N2 C17 H17A . . 109.5 ?
    N2 C17 H17B . . 109.5 ?
    N2 C17 C18 . 2_467 110.9(3) ?
    H17A C17 H17B . . 108.1 ?
    C18 C17 H17A 2_467 . 109.5 ?
    C18 C17 H17B 2_467 . 109.5 ?
    N2 C18 C17 . 2_467 110.6(3) ?
    N2 C18 H18A . . 109.5 ?
    N2 C18 H18B . . 109.5 ?
    C17 C18 H18A 2_467 . 109.5 ?
    C17 C18 H18B 2_467 . 109.5 ?
    H18A C18 H18B . . 108.1 ?
    N3 C19 H19 . . 118.4 ?
    N3 C19 C20 . . 123.2(3) ?
    C20 C19 H19 . . 118.4 ?
    C19 C20 H20 . . 120.0 ?
    C21 C20 C19 . . 120.0(3) ?
    C21 C20 H20 . . 120.0 ?
    C20 C21 C22 . . 117.3(3) ?
    C20 C21 C24 . . 119.9(3) ?
    C22 C21 C24 . . 122.3(3) ?
    C21 C22 H22 . . 120.1 ?
    C21 C22 C23 . . 119.7(3) ?
    C23 C22 H22 . . 120.1 ?
    N3 C23 C22 . . 123.4(3) ?
    N3 C23 H23 . . 118.3 ?
    C22 C23 H23 . . 118.3 ?
    O6 C24 N4 . . 121.3(6) ?
    O6 C24 N4A . . 120.5(6) ?
    O6 C24 C21 . . 119.4(3) ?
    N4 C24 C21 . . 117.6(6) ?
    N4A C24 C21 . . 118.3(6) ?
    N4 C25 H25A . . 108.0 ?
    N4 C25 H25B . . 108.0 ?
    H25A C25 H25B . . 107.2 ?
    C26 C25 N4 2_575 . 117.2(12) ?
    C26 C25 H25A 2_575 . 108.0 ?
    C26 C25 H25B 2_575 . 108.0 ?
    N4A C25A H25C . . 111.3 ?
    N4A C25A H25D . . 111.3 ?
    N4A C25A C26A . 2_575 102.4(7) ?
    H25C C25A H25D . . 109.2 ?
    C26A C25A H25C 2_575 . 111.3 ?
    C26A C25A H25D 2_575 . 111.3 ?
    N4 C26 H26C . . 107.0 ?
    N4 C26 H26D . . 107.0 ?
    C25 C26 N4 2_575 . 121.2(11) ?
    C25 C26 H26C 2_575 . 107.0 ?
    C25 C26 H26D 2_575 . 107.0 ?
    H26C C26 H26D . . 106.8 ?
    N4A C26A H26A . . 105(5) ?
    N4A C26A H26B . . 111(5) ?
    C25A C26A H26A 2_575 . 94(5) ?
    C25A C26A H26B 2_575 . 114(5) ?
    H26A C26A H26B . . 125(7) ?
    H1WA O1W H1WB . . 104.5 ?
    H2WA O2W H2WB . . 109.4 ?
    H3WA O3W H3WB . . 104.5 ?
    H4WA O4W H4WB . . 104.5 ?
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
    Zn1 O1 C1 O2 . . . . -95.1(5) ?
    Zn1 O1 C1 C2 . . . . 85.7(6) ?
    Zn1 O2 C1 O1 2_566 . . . 27.7(4) ?
    Zn1 O2 C1 C2 2_566 . . . -153.07(19) ?
    Zn1 O3 C10 O4 1_655 . . . -10.6(3) ?
    Zn1 O3 C10 C9 1_655 . . . 169.00(18) ?
    Zn1 N1 C11 C12 . . . . -173.8(2) ?
    Zn1 N1 C15 C14 . . . . 174.3(2) ?
    Zn1 N3 C19 C20 . . . . -172.3(4) ?
    Zn1 N3 C23 C22 . . . . 173.9(3) ?
    O1 C1 C2 C3 . . . . -179.8(3) ?
    O2 C1 C2 C3 . . . . 0.9(4) ?
    N1 C11 C12 C13 . . . . -0.6(4) ?
    N3 C19 C20 C21 . . . . -2.3(7) ?
    C1 C2 C3 C4 . . . . 175.9(3) ?
    C2 C3 C4 C5 . . . . 30.6(4) ?
    C2 C3 C4 C9 . . . . -148.3(3) ?
    C3 C4 C5 C6 . . . . -174.9(3) ?
    C3 C4 C9 C8 . . . . 174.1(2) ?
    C3 C4 C9 C10 . . . . -5.3(4) ?
    C4 C5 C6 C7 . . . . 0.3(5) ?
    C4 C9 C10 O3 . . . . -142.4(3) ?
    C4 C9 C10 O4 . . . . 37.1(4) ?
    C5 C4 C9 C8 . . . . -4.9(4) ?
    C5 C4 C9 C10 . . . . 175.8(3) ?
    C5 C6 C7 C8 . . . . -3.9(5) ?
    C6 C7 C8 C9 . . . . 3.0(4) ?
    C7 C8 C9 C4 . . . . 1.5(4) ?
    C7 C8 C9 C10 . . . . -179.2(2) ?
    C8 C9 C10 O3 . . . . 38.2(3) ?
    C8 C9 C10 O4 . . . . -142.2(3) ?
    C9 C4 C5 C6 . . . . 4.0(4) ?
    C11 N1 C15 C14 . . . . 0.8(4) ?
    C11 C12 C13 C14 . . . . 0.8(4) ?
    C11 C12 C13 C16 . . . . -173.5(3) ?
    C12 C13 C14 C15 . . . . -0.2(4) ?
    C12 C13 C16 O5 . . . . 109.4(3) ?
    C12 C13 C16 N2 . . . . -69.6(4) ?
    C13 C14 C15 N1 . . . . -0.6(4) ?
    C14 C13 C16 O5 . . . . -64.7(4) ?
    C14 C13 C16 N2 . . . . 116.2(3) ?
    C15 N1 C11 C12 . . . . -0.2(4) ?
    C16 N2 C17 C18 . . . 2_467 -132.7(3) ?
    C16 N2 C18 C17 . . . 2_467 132.5(3) ?
    C16 C13 C14 C15 . . . . 174.1(3) ?
    C17 N2 C16 O5 . . . . -176.5(3) ?
    C17 N2 C16 C13 . . . . 2.5(5) ?
    C17 N2 C18 C17 . . . 2_467 -54.2(4) ?
    C18 N2 C16 O5 . . . . -4.0(5) ?
    C18 N2 C16 C13 . . . . 175.0(3) ?
    C18 N2 C17 C18 . . . 2_467 54.4(4) ?
    C19 N3 C23 C22 . . . . 2.3(5) ?
    C19 C20 C21 C22 . . . . 3.5(6) ?
    C19 C20 C21 C24 . . . . 176.0(4) ?
    C20 C21 C22 C23 . . . . -2.0(6) ?
    C20 C21 C24 O6 . . . . -75.0(5) ?
    C20 C21 C24 N4 . . . . 90.5(6) ?
    C20 C21 C24 N4A . . . . 120.4(6) ?
    C21 C22 C23 N3 . . . . -0.9(6) ?
    C22 C21 C24 O6 . . . . 97.2(5) ?
    C22 C21 C24 N4 . . . . -97.4(6) ?
    C22 C21 C24 N4A . . . . -67.5(7) ?
    C23 N3 C19 C20 . . . . -0.7(6) ?
    C24 N4 C25 C26 . . . 2_575 168.1(12) ?
    C24 N4 C26 C25 . . . 2_575 -168.1(14) ?
    C24 N4A C25A C26A . . . 2_575 -100.9(10) ?
    C24 N4A C26A C25A . . . 2_575 100.1(9) ?
    C24 C21 C22 C23 . . . . -174.3(3) ?
    C25 N4 C24 O6 . . . . -14.5(10) ?
    C25 N4 C24 C21 . . . . -179.6(6) ?
    C25 N4 C26 C25 . . . 2_575 29.8(17) ?
    C25A N4A C24 O6 . . . . -175.9(7) ?
    C25A N4A C24 C21 . . . . -11.5(11) ?
    C25A N4A C26A C25A . . . 2_575 -70.2(9) ?
    C26 N4 C24 O6 . . . . -176.1(7) ?
    C26 N4 C24 C21 . . . . 18.8(11) ?
    C26 N4 C25 C26 . . . 2_575 -28.5(16) ?
    C26A N4A C24 O6 . . . . 15.2(11) ?
    C26A N4A C24 C21 . . . . 179.7(7) ?
    C26A N4A C25A C26A . . . 2_575 69.0(10) ?
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
    _geom_hbond_publ_flag
    O2W H2WA O3 1_455 0.87 1.87 2.732(4) 172 yes
    O2W H2WB O3W . 0.87 1.92 2.770(7) 165 yes
    O3W H3WA O4W . 0.87 1.85 2.585(13) 140 yes
    O3W H3WB O5 2_567 0.87 2.08 2.888(5) 154 yes
_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.
;
_shelx_estimated_absorpt_T_min     0.740
_shelx_estimated_absorpt_T_max     0.892
data_1R
_journal_date_recd_electronic     2023-09-06
_journal_date_accepted     2023-09-16
_journal_name_full     'IUCrData'
_journal_year     2023
_journal_volume     8
_journal_issue      9
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HM
_journal_paper_doi     10.1107/S2414314623008118
_journal_coeditor_code     TK4097
_publ_contact_author     'LaDuca, Robert L.'
_publ_contact_author_email
;
laduca@msu.edu
;
_publ_contact_author_fax     ?
_publ_section_title
;\
Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ²N:N'][μ-\
2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ²O:O²]zinc(II)]
2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based
six-connected pcu topology
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Glatz, Erika J.' .
;
E-35 Holmes Hall
Michigan State University
Lyman Briggs College
919 E. Shaw Lane
East Lansing, MI 48825
USA
;
    'LaDuca, Robert L.' .
;
E-35 Holmes Hall
Michigan State University
Lyman Briggs College
919 E. Shaw Lane
East Lansing, MI 48825
USA
;
_publ_section_synopsis
;
The title compound contains five-coordinate ZnII ions intermediate between
square-pyramidal and trigonal--bipyramidal coordination geometries. The ZnII
ions are connected by 2-carboxycinnamate (cca) ligands and
N,N'-bis-(pyridine-4-carboxamido)piperazine (4-pcap) ligands to
construct a non-interpenetrated, tri-periodic coordination polymer with
embedded [Zn₂(OCO)₂] dimeric units. Treating these as six-connected nodes
reveals an overall (4¹²6³) pcu topology.
;
