##############################################################################
#                                                                            #
# 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 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_systematic
;\
Poly[bis[μ₂-1,3-bis(pyridin-4-yl)urea-κ²N⁴:N^4'^]\
bis(μ₂-5-methylisophthalato-κ²O¹:O³)dizinc(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C40 H32 N8 O10 Zn2'
_chemical_formula_sum     'C40 H32 N8 O10 Zn2'
_chemical_formula_iupac     '[Zn2 (C9 H6 O4)2 (C11 H10 N4 O)2]'
_chemical_formula_weight     915.47
_chemical_melting_point     ?
_space_group_crystal_system     orthorhombic
_space_group_name_H-M_alt     'P b c m'
_space_group_name_Hall     '-P 2c 2b'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x, -y+1/2, -z'
    '-x, -y, -z'
    'x, y, -z-1/2'
    'x, -y-1/2, z-1/2'
    '-x, y-1/2, z'
_cell_length_a     12.0755(11)
_cell_length_b     17.7239(16)
_cell_length_c     17.4919(16)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     3743.7(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     8405
_cell_measurement_theta_min     2.30
_cell_measurement_theta_max     25.18
_cell_measurement_temperature     173(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.288
_exptl_crystal_size_mid     0.156
_exptl_crystal_size_min     0.114
_exptl_crystal_density_diffrn     1.624
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1872
_exptl_absorpt_coefficient_mu     1.355
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_absorpt_correction_T_min     0.6535
_exptl_absorpt_correction_T_max     0.7452
_exptl_special_details
;
Data were collected using a BRUKER CCD (charge coupled device) based
diffractometer equipped with an Oxford low-temperature apparatus operating at
173 K.  A suitable crystal was chosen and mounted on a nylon loop using
Paratone oil.  Data  were measured using omega scans of 0.5° per frame
for 30 s. The total number of images were based on
results from the program COSMO where redundancy was expected to be 4 and
completeness to 0.83Å to 100%. Cell parameters were
retrieved using APEX II software and refined using SAINT on all observed
reflections.Data reduction was performed using the SAINT software which
corrects for Lp. Scaling and absorption corrections were applied using SADABS
multi-scan technique, supplied by George Sheldrick.  The structure was solved
by the direct method using the SHELXT program and refined by least squares
method on F2, SHELXL, incorporated in OLEX2.
;
_diffrn_ambient_temperature     173.15
_diffrn_source     'sealed tube'
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     8.36
_diffrn_reflns_number     29050
_diffrn_reflns_av_R_equivalents     0.0675
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_theta_min     1.686
_diffrn_reflns_theta_max     25.334
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     21
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     0
_refine_special_details
;
The structure was refined by Least Squares using version 2018/3
of SHELXL (Sheldrick, 2015b) incorporated in OLEX2
(Dolomanov et al., 2009). All non-hydrogen atoms were refined
anisotropically. Hydrogen atom positions were calculated geometrically
and refined using the riding model, except for the Hydrogen atom on
the nitrogen atom which was found by difference Fourier methods and
refined isotropically.
;
_reflns_number_total     3546
_reflns_number_gt     2731
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0568
_refine_ls_R_factor_gt     0.0379
_refine_ls_wR_factor_gt     0.0848
_refine_ls_wR_factor_ref     0.0959
_refine_ls_goodness_of_fit_ref     1.036
_refine_ls_restrained_S_all     1.036
_refine_ls_number_reflns     3546
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0396P)²+4.9027P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.883
_refine_diff_density_min     -0.341
_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
;
COSMO (Bruker, 2009)
;
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
Crystal Maker 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 0.22230(4) 0.72239(3) 0.2500 0.02069(15) Uani d 1 . .
    Zn Zn2 1.05581(4) 0.2500 0.5000 0.02236(15) Uani d 1 . .
    O O1 0.1090(2) 0.64386(17) 0.2500 0.0286(7) Uani d 1 . .
    O O2 0.1735(3) 0.52565(17) 0.2500 0.0319(8) Uani d 1 . .
    O O3 -0.2841(3) 0.34350(18) 0.2500 0.0424(9) Uani d 1 . .
    O O4 -0.1108(3) 0.31038(17) 0.2500 0.0338(8) Uani d 1 . .
    O O5 1.10499(17) 0.24973(12) 0.60942(12) 0.0261(5) Uani d 1 . .
    O O6 1.21086(18) 0.17083(12) 0.54534(11) 0.0282(5) Uani d 1 . .
    O O7 0.59432(19) 0.48433(13) 0.42346(14) 0.0378(6) Uani d 1 . .
    N N1 0.3308(2) 0.69427(14) 0.33766(15) 0.0245(6) Uani d 1 . .
    N N2 0.6071(2) 0.60954(15) 0.45472(15) 0.0280(6) Uani d 1 . .
    H H2 0.6473 0.6425 0.4802 0.034 Uiso calc 1 . .
    N N3 0.7414(2) 0.52788(15) 0.49375(15) 0.0273(6) Uani d 1 . .
    H H3 0.7647 0.5673 0.5197 0.033 Uiso calc 1 . .
    N N4 0.9487(2) 0.33934(14) 0.50316(14) 0.0242(6) Uani d 1 . .
    C C1 0.0980(4) 0.5716(2) 0.2500 0.0226(10) Uani d 1 . .
    C C2 -0.0202(3) 0.5443(2) 0.2500 0.0205(9) Uani d 1 . .
    C C3 -0.0429(4) 0.4671(2) 0.2500 0.0232(10) Uani d 1 . .
    H H3A 0.0159 0.4315 0.2500 0.028 Uiso calc 1 . .
    C C4 -0.1522(4) 0.4429(2) 0.2500 0.0236(10) Uani d 1 . .
    C C5 -0.2375(4) 0.4956(3) 0.2500 0.0277(10) Uani d 1 . .
    H H5 -0.3121 0.4785 0.2500 0.033 Uiso calc 1 . .
    C C6 -0.2167(4) 0.5721(3) 0.2500 0.0283(11) Uani d 1 . .
    C C7 -0.1065(3) 0.5954(2) 0.2500 0.0232(10) Uani d 1 . .
    H H7 -0.0903 0.6478 0.2500 0.028 Uiso calc 1 . .
    C C8 -0.1840(4) 0.3612(3) 0.2500 0.0246(10) Uani d 1 . .
    C C9 -0.3097(4) 0.6291(3) 0.2500 0.0403(13) Uani d 1 . .
    H H9A -0.3105 0.6560 0.2989 0.061 Uiso calc 0.5 A -1
    H H9B -0.3805 0.6030 0.2428 0.061 Uiso calc 0.5 A -1
    H H9C -0.2984 0.6652 0.2083 0.061 Uiso calc 0.5 A -1
    C C10 1.1788(2) 0.19887(16) 0.60787(17) 0.0223(7) Uani d 1 . .
    C C11 1.2281(2) 0.17337(16) 0.68140(16) 0.0190(6) Uani d 1 . .
    C C12 1.1792(3) 0.1945(2) 0.7500 0.0191(9) Uani d 1 . .
    H H12 1.1128 0.2232 0.7500 0.023 Uiso calc 1 . .
    C C13 1.3233(2) 0.12961(16) 0.68196(17) 0.0217(7) Uani d 1 . .
    H H13 1.3555 0.1146 0.6348 0.026 Uiso calc 1 . .
    C C14 1.3722(3) 0.1073(2) 0.7500 0.0230(10) Uani d 1 . .
    C C15 1.4743(4) 0.0582(3) 0.7500 0.0322(11) Uani d 1 . .
    H H15A 1.4537 0.0064 0.7365 0.048 Uiso calc 0.5 B -1
    H H15B 1.5080 0.0587 0.8010 0.048 Uiso calc 0.5 B -1
    H H15C 1.5276 0.0775 0.7125 0.048 Uiso calc 0.5 B -1
    C C16 0.3396(3) 0.62065(18) 0.35476(19) 0.0283(7) Uani d 1 . .
    H H16 0.2819 0.5879 0.3385 0.034 Uiso calc 1 . .
    C C17 0.4266(3) 0.58995(19) 0.39417(18) 0.0292(8) Uani d 1 . .
    H H17 0.4284 0.5374 0.4050 0.035 Uiso calc 1 . .
    C C18 0.5121(3) 0.63642(18) 0.41805(17) 0.0241(7) Uani d 1 . .
    C C19 0.5028(3) 0.71332(18) 0.40297(19) 0.0285(7) Uani d 1 . .
    H H19 0.5585 0.7473 0.4199 0.034 Uiso calc 1 . .
    C C20 0.4126(3) 0.73950(18) 0.36345(19) 0.0293(8) Uani d 1 . .
    H H20 0.4074 0.7921 0.3537 0.035 Uiso calc 1 . .
    C C21 0.6433(3) 0.53544(19) 0.45420(18) 0.0287(8) Uani d 1 . .
    C C22 0.8676(3) 0.34385(19) 0.45077(19) 0.0342(8) Uani d 1 . .
    H H22 0.8600 0.3036 0.4153 0.041 Uiso calc 1 . .
    C C23 0.7952(3) 0.40320(19) 0.44552(19) 0.0323(8) Uani d 1 . .
    H H23 0.7382 0.4034 0.4081 0.039 Uiso calc 1 . .
    C C24 0.8071(3) 0.46316(17) 0.49621(18) 0.0241(7) Uani d 1 . .
    C C25 0.8906(3) 0.45927(18) 0.55071(18) 0.0263(7) Uani d 1 . .
    H H25 0.9008 0.4992 0.5863 0.032 Uiso calc 1 . .
    C C26 0.9581(3) 0.39689(18) 0.55249(18) 0.0266(7) Uani d 1 . .
    H H26 1.0142 0.3944 0.5905 0.032 Uiso calc 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
    Zn1 O1 . 1.952(3) y
    Zn1 O3 3 2.272(3) y
    Zn1 O4 3 2.060(3) y
    Zn1 N1 . 2.077(3) y
    Zn1 N1 6_556 2.077(3) y
    Zn2 O5 4_556 2.004(2) y
    Zn2 O5 . 2.004(2) y
    Zn2 N4 4_556 2.045(3) y
    Zn2 N4 . 2.045(3) y
    O1 C1 . 1.287(5) ?
    O2 C1 . 1.223(5) ?
    O3 Zn1 3_545 2.272(3) ?
    O3 C8 . 1.248(5) ?
    O4 Zn1 3_545 2.060(3) ?
    O4 C8 . 1.262(5) ?
    O5 C10 . 1.268(4) ?
    O6 C10 . 1.262(4) ?
    O7 C21 . 1.208(4) ?
    N1 C16 . 1.343(4) ?
    N1 C20 . 1.350(4) ?
    N2 H2 . 0.8800 ?
    N2 C18 . 1.399(4) ?
    N2 C21 . 1.384(4) ?
    N3 H3 . 0.8800 ?
    N3 C21 . 1.378(4) ?
    N3 C24 . 1.395(4) ?
    N4 C22 . 1.343(4) ?
    N4 C26 . 1.341(4) ?
    C1 C2 . 1.507(6) ?
    C2 C3 . 1.395(6) ?
    C2 C7 . 1.380(6) ?
    C3 H3A . 0.9500 ?
    C3 C4 . 1.389(6) ?
    C4 C5 . 1.391(6) ?
    C4 C8 . 1.497(6) ?
    C5 H5 . 0.9500 ?
    C5 C6 . 1.379(6) ?
    C6 C7 . 1.393(6) ?
    C6 C9 . 1.510(6) ?
    C7 H7 . 0.9500 ?
    C8 Zn1 3_545 2.503(5) ?
    C9 H9A . 0.9800 ?
    C9 H9B . 0.9800 ?
    C9 H9C . 0.9800 ?
    C10 C11 . 1.488(4) ?
    C11 C12 . 1.388(4) ?
    C11 C13 . 1.387(4) ?
    C12 C11 6_557 1.389(4) ?
    C12 H12 . 0.9500 ?
    C13 H13 . 0.9500 ?
    C13 C14 . 1.386(4) ?
    C14 C13 6_557 1.386(4) ?
    C14 C15 . 1.510(6) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 H16 . 0.9500 ?
    C16 C17 . 1.370(4) ?
    C17 H17 . 0.9500 ?
    C17 C18 . 1.385(4) ?
    C18 C19 . 1.393(4) ?
    C19 H19 . 0.9500 ?
    C19 C20 . 1.371(4) ?
    C20 H20 . 0.9500 ?
    C22 H22 . 0.9500 ?
    C22 C23 . 1.371(5) ?
    C23 H23 . 0.9500 ?
    C23 C24 . 1.391(4) ?
    C24 C25 . 1.389(4) ?
    C25 H25 . 0.9500 ?
    C25 C26 . 1.374(4) ?
    C26 H26 . 0.9500 ?
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 O3 . 3 154.66(12) y
    O1 Zn1 O4 . 3 94.69(13) y
    O1 Zn1 N1 . 6_556 105.72(9) y
    O1 Zn1 N1 . . 105.72(9) y
    O4 Zn1 O3 3 3 59.97(12) y
    O4 Zn1 N1 3 . 126.42(8) y
    O4 Zn1 N1 3 6_556 126.42(8) y
    N1 Zn1 O3 6_556 3 91.13(9) y
    N1 Zn1 O3 . 3 91.12(9) y
    N1 Zn1 N1 6_556 . 95.14(14) y
    O5 Zn2 O5 . 4_556 145.53(12) y
    O5 Zn2 N4 . 4_556 102.20(9) y
    O5 Zn2 N4 4_556 4_556 99.41(9) y
    O5 Zn2 N4 . . 99.41(9) y
    O5 Zn2 N4 4_556 . 102.20(9) y
    N4 Zn2 N4 4_556 . 101.55(14) y
    C1 O1 Zn1 . . 141.4(3) ?
    C8 O3 Zn1 . 3_545 85.4(3) ?
    C8 O4 Zn1 . 3_545 94.7(3) ?
    C10 O5 Zn2 . . 100.92(18) ?
    C10 O6 Zn2 . . 79.75(17) ?
    C16 N1 Zn1 . . 116.6(2) ?
    C16 N1 C20 . . 116.4(3) ?
    C20 N1 Zn1 . . 124.5(2) ?
    C18 N2 H2 . . 117.3 ?
    C21 N2 H2 . . 117.3 ?
    C21 N2 C18 . . 125.4(3) ?
    C21 N3 H3 . . 117.1 ?
    C21 N3 C24 . . 125.7(3) ?
    C24 N3 H3 . . 117.1 ?
    C22 N4 Zn2 . . 119.2(2) ?
    C26 N4 Zn2 . . 123.6(2) ?
    C26 N4 C22 . . 117.1(3) ?
    O1 C1 C2 . . 114.7(4) ?
    O2 C1 O1 . . 125.8(4) ?
    O2 C1 C2 . . 119.5(4) ?
    C3 C2 C1 . . 120.0(4) ?
    C7 C2 C1 . . 120.3(4) ?
    C7 C2 C3 . . 119.7(4) ?
    C2 C3 H3A . . 120.3 ?
    C4 C3 C2 . . 119.3(4) ?
    C4 C3 H3A . . 120.3 ?
    C3 C4 C5 . . 119.7(4) ?
    C3 C4 C8 . . 122.9(4) ?
    C5 C4 C8 . . 117.4(4) ?
    C4 C5 H5 . . 119.1 ?
    C6 C5 C4 . . 121.7(4) ?
    C6 C5 H5 . . 119.1 ?
    C5 C6 C7 . . 117.7(4) ?
    C5 C6 C9 . . 121.5(4) ?
    C7 C6 C9 . . 120.8(4) ?
    C2 C7 C6 . . 121.8(4) ?
    C2 C7 H7 . . 119.1 ?
    C6 C7 H7 . . 119.1 ?
    O3 C8 Zn1 . 3_545 64.8(2) ?
    O3 C8 O4 . . 119.9(4) ?
    O3 C8 C4 . . 119.4(4) ?
    O4 C8 Zn1 . 3_545 55.1(2) ?
    O4 C8 C4 . . 120.7(4) ?
    C4 C8 Zn1 . 3_545 175.8(3) ?
    C6 C9 H9A . . 109.5 ?
    C6 C9 H9B . . 109.5 ?
    C6 C9 H9C . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    O5 C10 Zn2 . . 50.06(14) ?
    O5 C10 C11 . . 118.6(3) ?
    O6 C10 Zn2 . . 71.31(16) ?
    O6 C10 O5 . . 120.9(3) ?
    O6 C10 C11 . . 120.5(3) ?
    C11 C10 Zn2 . . 167.0(2) ?
    C12 C11 C10 . . 119.7(3) ?
    C13 C11 C10 . . 120.5(3) ?
    C13 C11 C12 . . 119.8(3) ?
    C11 C12 C11 . 6_557 119.6(4) ?
    C11 C12 H12 6_557 . 120.2 ?
    C11 C12 H12 . . 120.2 ?
    C11 C13 H13 . . 119.4 ?
    C14 C13 C11 . . 121.3(3) ?
    C14 C13 H13 . . 119.4 ?
    C13 C14 C13 6_557 . 118.3(4) ?
    C13 C14 C15 6_557 . 120.85(19) ?
    C13 C14 C15 . . 120.85(19) ?
    C14 C15 H15A . . 109.5 ?
    C14 C15 H15B . . 109.5 ?
    C14 C15 H15C . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    N1 C16 H16 . . 118.0 ?
    N1 C16 C17 . . 124.0(3) ?
    C17 C16 H16 . . 118.0 ?
    C16 C17 H17 . . 120.4 ?
    C16 C17 C18 . . 119.2(3) ?
    C18 C17 H17 . . 120.4 ?
    C17 C18 N2 . . 123.2(3) ?
    C17 C18 C19 . . 117.7(3) ?
    C19 C18 N2 . . 119.1(3) ?
    C18 C19 H19 . . 120.3 ?
    C20 C19 C18 . . 119.4(3) ?
    C20 C19 H19 . . 120.3 ?
    N1 C20 C19 . . 123.3(3) ?
    N1 C20 H20 . . 118.3 ?
    C19 C20 H20 . . 118.3 ?
    O7 C21 N2 . . 124.0(3) ?
    O7 C21 N3 . . 124.9(3) ?
    N3 C21 N2 . . 111.1(3) ?
    N4 C22 H22 . . 118.1 ?
    N4 C22 C23 . . 123.8(3) ?
    C23 C22 H22 . . 118.1 ?
    C22 C23 H23 . . 120.7 ?
    C22 C23 C24 . . 118.5(3) ?
    C24 C23 H23 . . 120.7 ?
    C23 C24 N3 . . 123.4(3) ?
    C25 C24 N3 . . 118.3(3) ?
    C25 C24 C23 . . 118.3(3) ?
    C24 C25 H25 . . 120.5 ?
    C26 C25 C24 . . 119.1(3) ?
    C26 C25 H25 . . 120.5 ?
    N4 C26 C25 . . 123.2(3) ?
    N4 C26 H26 . . 118.4 ?
    C25 C26 H26 . . 118.4 ?
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 . . . . 0.0 ?
    Zn1 O1 C1 C2 . . . . 180.0 ?
    Zn1 O3 C8 O4 3_545 . . . 0.0 ?
    Zn1 O3 C8 C4 3_545 . . . 180.0 ?
    Zn1 O4 C8 O3 3_545 . . . 0.0 ?
    Zn1 O4 C8 C4 3_545 . . . 180.0 ?
    Zn1 N1 C16 C17 . . . . 160.9(3) ?
    Zn1 N1 C20 C19 . . . . -159.1(3) ?
    Zn2 O5 C10 O6 . . . . 8.4(3) ?
    Zn2 O5 C10 C11 . . . . -172.3(2) ?
    Zn2 O6 C10 O5 . . . . -6.8(3) ?
    Zn2 O6 C10 C11 . . . . 174.0(3) ?
    Zn2 N4 C22 C23 . . . . -176.6(3) ?
    Zn2 N4 C26 C25 . . . . 175.2(2) ?
    Zn2 C10 C11 C12 . . . . -15.1(11) ?
    Zn2 C10 C11 C13 . . . . 165.9(8) ?
    O1 C1 C2 C3 . . . . 180.0 ?
    O1 C1 C2 C7 . . . . 0.0 ?
    O2 C1 C2 C3 . . . . 0.0 ?
    O2 C1 C2 C7 . . . . 180.0 ?
    O5 C10 C11 C12 . . . . 12.0(5) ?
    O5 C10 C11 C13 . . . . -167.0(3) ?
    O6 C10 C11 C12 . . . . -168.7(3) ?
    O6 C10 C11 C13 . . . . 12.3(4) ?
    N1 C16 C17 C18 . . . . -0.4(5) ?
    N2 C18 C19 C20 . . . . 176.6(3) ?
    N3 C24 C25 C26 . . . . -178.1(3) ?
    N4 C22 C23 C24 . . . . 1.3(6) ?
    C1 C2 C3 C4 . . . . 180.0 ?
    C1 C2 C7 C6 . . . . 180.0 ?
    C2 C3 C4 C5 . . . . 0.0 ?
    C2 C3 C4 C8 . . . . 180.0 ?
    C3 C2 C7 C6 . . . . 0.0 ?
    C3 C4 C5 C6 . . . . 0.0 ?
    C3 C4 C8 O3 . . . . 180.0 ?
    C3 C4 C8 O4 . . . . 0.0 ?
    C4 C5 C6 C7 . . . . 0.0 ?
    C4 C5 C6 C9 . . . . 180.0 ?
    C5 C4 C8 O3 . . . . 0.0 ?
    C5 C4 C8 O4 . . . . 180.0 ?
    C5 C6 C7 C2 . . . . 0.0 ?
    C7 C2 C3 C4 . . . . 0.0 ?
    C8 C4 C5 C6 . . . . 180.0 ?
    C9 C6 C7 C2 . . . . 180.0 ?
    C10 C11 C12 C11 . . . 6_557 -177.2(2) ?
    C10 C11 C13 C14 . . . . 177.9(3) ?
    C11 C13 C14 C13 . . . 6_557 0.3(6) ?
    C11 C13 C14 C15 . . . . 178.6(4) ?
    C12 C11 C13 C14 . . . . -1.1(5) ?
    C13 C11 C12 C11 . . . 6_557 1.9(6) ?
    C16 N1 C20 C19 . . . . 2.1(5) ?
    C16 C17 C18 N2 . . . . -176.2(3) ?
    C16 C17 C18 C19 . . . . 2.3(5) ?
    C17 C18 C19 C20 . . . . -2.1(5) ?
    C18 N2 C21 O7 . . . . -2.4(5) ?
    C18 N2 C21 N3 . . . . 178.2(3) ?
    C18 C19 C20 N1 . . . . -0.2(5) ?
    C20 N1 C16 C17 . . . . -1.8(5) ?
    C21 N2 C18 C17 . . . . 18.2(5) ?
    C21 N2 C18 C19 . . . . -160.4(3) ?
    C21 N3 C24 C23 . . . . 15.0(5) ?
    C21 N3 C24 C25 . . . . -166.9(3) ?
    C22 N4 C26 C25 . . . . -1.0(5) ?
    C22 C23 C24 N3 . . . . 176.9(3) ?
    C22 C23 C24 C25 . . . . -1.2(5) ?
    C23 C24 C25 C26 . . . . 0.1(5) ?
    C24 N3 C21 O7 . . . . 9.0(5) ?
    C24 N3 C21 N2 . . . . -171.5(3) ?
    C24 C25 C26 N4 . . . . 1.0(5) ?
    C26 N4 C22 C23 . . . . -0.2(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
    _geom_hbond_publ_flag
    N2 H2 O6 8_765 0.88 2.12 2.919(3) 151.1 y
    N3 H3 O6 8_765 0.88 1.91 2.751(3) 158.9 y
    C5 H5 O3 . 0.95 2.42 2.754(5) 100.6 n
    C7 H7 O1 . 0.95 2.41 2.741(5) 100.2 n
    C17 H17 O7 . 0.95 2.24 2.805(4) 117.4 n
    C23 H23 O7 . 0.95 2.27 2.846(4) 118.4 n
_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     0.696
_shelx_estimated_absorpt_T_max     0.861
data_1R
_journal_date_recd_electronic     2023-07-14
_journal_date_accepted     2023-07-28
_journal_name_full     'IUCrData'
_journal_year     2023
_journal_volume     8
_journal_issue      8
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HM
_journal_paper_doi     10.1107/S2414314623006600
_journal_coeditor_code     PK4042
_publ_contact_author     'LaDuca, Robert L.'
_publ_contact_author_email
;
laduca@msu.edu
;
_publ_contact_author_fax     ?
_publ_section_title
;\
Poly[bis[μ₂-1,3-bis(pyridin-4-yl)urea-κ²N⁴:N^4'^]\
bis(μ₂-5-methylisophthalato-κ²O¹:O³)dizinc(II)], a
parallel interpenetrated slab-like coordination polymer with
{3.6⁴8}{3²6.7²8} 4,4-connected binodal topology
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Jia, Jason' .
;
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
;
A divalent zinc one-dimensional ribbon coordination polymer,
[Zn₂(tbuip)₂(bpu)]ₙ, was structurally characterized by
single-crystal X-ray diffraction.
;
