##############################################################################
#                                                                            #
# 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_I
_audit_creation_method     SHELXL97
_database_code_depnum_ccdc_archive     'CCDC 1055478'
_chemical_name_systematic
;\
Poly[diaquatris(μ₃-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-\
yl)benzimidazole]tricadmium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C48 H48 Cd3 N6 O14'
_chemical_formula_sum     'C48 H52 Cd3 N6 O14'
_chemical_formula_iupac     '[Cd3 (C8 H10 O4)3 (C12 H9 N3)2 (H2 O)2]'
_chemical_formula_weight     1274.19
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 2/c'
_symmetry_space_group_name_Hall     '-P 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
_cell_length_a     10.366(3)
_cell_length_b     8.774(3)
_cell_length_c     27.071(7)
_cell_angle_alpha     90.00
_cell_angle_beta     101.480(10)
_cell_angle_gamma     90.00
_cell_volume     2412.9(12)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min     2.00
_cell_measurement_theta_max     27.52
_cell_measurement_temperature     293(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     0.15
_exptl_crystal_density_diffrn     1.754
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1276
_exptl_absorpt_coefficient_mu     1.384
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrystalClear; Rigaku, 2007)
;
_exptl_absorpt_correction_T_min     0.569
_exptl_absorpt_correction_T_max     1.000
_exptl_special_details     ?
_diffrn_ambient_temperature     293(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     'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method     'CCD Profile fitting'
_diffrn_detector_area_resol_mean     13.6612
_diffrn_reflns_number     18383
_diffrn_reflns_av_R_equivalents     0.0410
_diffrn_reflns_av_sigmaI/netI     0.0394
_diffrn_reflns_theta_min     2.76
_diffrn_reflns_theta_max     27.52
_diffrn_reflns_theta_full     27.52
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -33
_diffrn_reflns_limit_l_max     35
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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 >
σ(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     5500
_reflns_number_gt     4825
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0440
_refine_ls_R_factor_gt     0.0384
_refine_ls_wR_factor_gt     0.1036
_refine_ls_wR_factor_ref     0.1094
_refine_ls_goodness_of_fit_ref     1.094
_refine_ls_restrained_S_all     1.149
_refine_ls_number_reflns     5500
_refine_ls_number_parameters     327
_refine_ls_number_restraints     9
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0523P)²+0.5390P] 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     0.000
_refine_diff_density_max     1.630
_refine_diff_density_min     -0.987
_refine_ls_extinction_method
;
SHELXL (Sheldrick, 2008)
;
_refine_ls_extinction_coef     0.0027(4)
_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
    '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'
    'Cd' 'Cd' -0.8075 1.2024
                         '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'
_computing_data_collection
;
CrystalClear (Rigaku, 2007)
;
_computing_cell_refinement
;
CrystalClear (Rigaku, 2007)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2007)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008)
;
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cd Cd1 0.13470(2) -0.64177(2) -0.120948(8) 0.03391(11) Uani d . 1 1 . .
    Cd Cd2 0.0000 -0.63992(3) -0.2500 0.03055(12) Uani d S 1 2 . .
    O O1 -0.0825(3) -0.7998(4) -0.20075(13) 0.0793(9) Uani d U 1 1 . .
    O O2 0.0280(3) -0.8637(3) -0.12597(11) 0.0547(7) Uani d . 1 1 . .
    O O3 -0.0232(3) -1.4593(3) -0.19379(11) 0.0669(8) Uani d . 1 1 . .
    O O4 -0.0374(3) -1.4894(3) -0.11496(10) 0.0548(6) Uani d . 1 1 . .
    O O5 0.2014(2) -0.6516(3) -0.19613(9) 0.0451(6) Uani d . 1 1 . .
    O O6 0.3426(2) -0.7911(3) -0.14465(9) 0.0518(6) Uani d . 1 1 . .
    O O7 0.1793(3) -0.7005(3) -0.03492(9) 0.0539(6) Uani d D 1 1 . .
    H H2 0.2403 -0.7263 -0.0113 0.14(3) Uiso d RD 1 1 . .
    N N1 0.2861(3) -0.4416(3) -0.10222(10) 0.0416(6) Uani d . 1 1 . .
    N N2 0.6552(3) -0.0846(3) -0.01933(9) 0.0385(6) Uani d . 1 1 . .
    N N3 0.5460(3) 0.0642(3) -0.08077(10) 0.0397(6) Uani d . 1 1 . .
    H H3A 0.4870 0.0927 -0.1061 0.048 Uiso calc R 1 1 . .
    C C1 0.3996(4) -0.4602(4) -0.07008(14) 0.0536(9) Uani d . 1 1 . .
    H H1A 0.4206 -0.5572 -0.0571 0.064 Uiso calc R 1 1 . .
    C C2 0.4881(4) -0.3445(4) -0.05478(15) 0.0531(10) Uani d . 1 1 . .
    H H2B 0.5660 -0.3638 -0.0319 0.064 Uiso calc R 1 1 . .
    C C3 0.4601(3) -0.1983(4) -0.07386(11) 0.0359(6) Uani d . 1 1 . .
    C C4 0.3441(4) -0.1799(4) -0.10875(14) 0.0487(8) Uani d . 1 1 . .
    H H4A 0.3219 -0.0850 -0.1233 0.058 Uiso calc R 1 1 . .
    C C5 0.2612(4) -0.3032(4) -0.12193(14) 0.0515(9) Uani d . 1 1 . .
    H H5A 0.1842 -0.2886 -0.1458 0.062 Uiso calc R 1 1 . .
    C C6 0.5528(3) -0.0740(3) -0.05707(11) 0.0355(6) Uani d . 1 1 . .
    C C7 0.7182(3) 0.0558(4) -0.01779(11) 0.0374(6) Uani d . 1 1 . .
    C C8 0.8309(4) 0.1081(4) 0.01465(12) 0.0462(8) Uani d . 1 1 . .
    H H8A 0.8763 0.0470 0.0404 0.055 Uiso calc R 1 1 . .
    C C9 0.8729(4) 0.2547(4) 0.00711(14) 0.0537(9) Uani d . 1 1 . .
    H H9A 0.9467 0.2932 0.0287 0.064 Uiso calc R 1 1 . .
    C C10 0.8070(4) 0.3458(4) -0.03219(15) 0.0566(10) Uani d . 1 1 . .
    H H10A 0.8392 0.4428 -0.0366 0.068 Uiso calc R 1 1 . .
    C C11 0.6947(4) 0.2953(4) -0.06482(14) 0.0522(8) Uani d . 1 1 . .
    H H11A 0.6506 0.3560 -0.0910 0.063 Uiso calc R 1 1 . .
    C C12 0.6514(3) 0.1492(3) -0.05641(12) 0.0380(7) Uani d . 1 1 . .
    C C13 -0.1496(3) -1.0227(3) -0.16560(12) 0.0372(7) Uani d . 1 1 . .
    H H13A -0.2398 -0.9834 -0.1703 0.045 Uiso calc R 1 1 . .
    C C14 -0.1261(3) -1.1182(3) -0.11790(12) 0.0385(7) Uani d . 1 1 . .
    H H14A -0.1354 -1.0553 -0.0898 0.046 Uiso d R 1 1 . .
    H H14B -0.0376 -1.1567 -0.1118 0.046 Uiso d R 1 1 . .
    C C15 -0.2225(3) -1.2510(4) -0.12229(13) 0.0443(7) Uani d . 1 1 . .
    H H15A -0.3105 -1.2120 -0.1260 0.053 Uiso d R 1 1 . .
    H H15B -0.2039 -1.3101 -0.0919 0.053 Uiso d R 1 1 . .
    C C16 -0.2128(3) -1.3525(3) -0.16716(13) 0.0400(7) Uani d . 1 1 . .
    H H16A -0.2842 -1.4274 -0.1705 0.048 Uiso calc R 1 1 . .
    C C17 -0.2353(4) -1.2593(4) -0.21560(14) 0.0561(10) Uani d . 1 1 . .
    H H17A -0.3246 -1.2236 -0.2233 0.067 Uiso d R 1 1 . .
    H H17B -0.2217 -1.3233 -0.2429 0.067 Uiso d R 1 1 . .
    C C18 -0.1429(4) -1.1228(4) -0.21160(13) 0.0473(8) Uani d . 1 1 . .
    H H18A -0.0542 -1.1589 -0.2085 0.057 Uiso d R 1 1 . .
    H H18B -0.1640 -1.0624 -0.2417 0.057 Uiso d R 1 1 . .
    C C19 -0.0595(3) -0.8861(4) -0.16403(14) 0.0440(8) Uani d . 1 1 . .
    C C20 -0.0837(3) -1.4405(3) -0.15805(13) 0.0413(7) Uani d . 1 1 . .
    C C21 0.3046(3) -0.7338(4) -0.18682(12) 0.0393(7) Uani d . 1 1 . .
    C C22 0.3805(3) -0.7461(4) -0.22900(12) 0.0426(7) Uani d . 1 1 . .
    H H22A 0.3158 -0.7480 -0.2608 0.051 Uiso calc R 1 1 . .
    C C23 0.4634(4) -0.8859(4) -0.22785(16) 0.0518(9) Uani d . 1 1 . .
    H H23B 0.5292 -0.8853 -0.1974 0.062 Uiso d R 1 1 . .
    H H23A 0.4088 -0.9746 -0.2286 0.078 Uiso d R 1 1 . .
    C C24 0.4610(4) -0.6021(4) -0.22902(17) 0.0581(10) Uani d . 1 1 . .
    H H24C 0.5196 -0.5936 -0.1969 0.070 Uiso d R 1 1 . .
    H H24B 0.4033 -0.5154 -0.2340 0.087 Uiso d R 1 1 . .
    H H1 0.107(5) -0.752(10) -0.040(3) 0.30(6) Uiso d D 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Cd1 O2 . 2.230(2) yes
    Cd1 O4 1_565 2.261(3) yes
    Cd1 O5 . 2.278(2) yes
    Cd1 O7 . 2.340(2) yes
    Cd1 N1 . 2.342(3) yes
    Cd1 O6 . 2.706(3) yes
    Cd1 O3 1_565 2.801(3) yes
    Cd1 C21 . 2.861(3) no
    Cd1 Cd2 . 3.4947(9) no
    Cd1 H1 . 2.47(6) no
    Cd2 O1 . 2.221(3) yes
    Cd2 O1 2_554 2.221(3) yes
    Cd2 O3 1_565 2.243(3) yes
    Cd2 O3 2_564 2.243(3) yes
    Cd2 O5 . 2.299(2) yes
    Cd2 O5 2_554 2.299(2) yes
    Cd2 Cd1 2_554 3.4947(9) no
    O1 C19 . 1.234(4) no
    O2 C19 . 1.246(4) no
    O3 C20 . 1.264(4) no
    O3 Cd2 1_545 2.243(3) no
    O3 Cd1 1_545 2.801(3) no
    O4 C20 . 1.246(4) no
    O4 Cd1 1_545 2.261(3) no
    O5 C21 . 1.273(4) no
    O6 C21 . 1.238(4) no
    O7 H2 . 0.8357 no
    O7 H1 . 0.859(11) no
    N1 C1 . 1.327(4) no
    N1 C5 . 1.331(4) no
    N2 C6 . 1.322(4) no
    N2 C7 . 1.391(4) no
    N3 C6 . 1.367(4) no
    N3 C12 . 1.378(4) no
    N3 H3A . 0.8600 no
    C1 C2 . 1.376(5) no
    C1 H1A . 0.9300 no
    C2 C3 . 1.392(4) no
    C2 H2B . 0.9300 no
    C3 C4 . 1.382(4) no
    C3 C6 . 1.465(4) no
    C4 C5 . 1.383(5) no
    C4 H4A . 0.9300 no
    C5 H5A . 0.9300 no
    C7 C8 . 1.392(4) no
    C7 C12 . 1.398(4) no
    C8 C9 . 1.386(5) no
    C8 H8A . 0.9300 no
    C9 C10 . 1.396(5) no
    C9 H9A . 0.9300 no
    C10 C11 . 1.386(5) no
    C10 H10A . 0.9300 no
    C11 C12 . 1.392(4) no
    C11 H11A . 0.9300 no
    C13 C19 . 1.515(4) no
    C13 C14 . 1.518(4) no
    C13 C18 . 1.537(5) no
    C13 H13A . 0.9800 no
    C14 C15 . 1.525(4) no
    C14 H14A . 0.9602 no
    C14 H14B . 0.9601 no
    C15 C16 . 1.525(5) no
    C15 H15A . 0.9601 no
    C15 H15B . 0.9597 no
    C16 C20 . 1.522(5) no
    C16 C17 . 1.524(5) no
    C16 H16A . 0.9800 no
    C17 C18 . 1.524(5) no
    C17 H17A . 0.9598 no
    C17 H17B . 0.9603 no
    C18 H18A . 0.9600 no
    C18 H18B . 0.9595 no
    C21 C22 . 1.514(5) no
    C22 C23 . 1.494(5) no
    C22 C24 . 1.515(5) no
    C22 H22A . 0.9800 no
    C23 C23 2_654 1.541(7) no
    C23 H23B . 0.9600 no
    C23 H23A . 0.9600 no
    C24 C24 2_654 1.520(8) no
    C24 H24C . 0.9597 no
    C24 H24B . 0.9602 no
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
    O2 Cd1 O4 . 1_565 97.59(10) yes
    O2 Cd1 O5 . . 98.49(10) yes
    O4 Cd1 O5 1_565 . 118.07(9) yes
    O2 Cd1 O7 . . 82.28(10) yes
    O4 Cd1 O7 1_565 . 93.50(10) yes
    O5 Cd1 O7 . . 147.80(9) yes
    O2 Cd1 N1 . . 166.06(10) yes
    O4 Cd1 N1 1_565 . 92.59(10) yes
    O5 Cd1 N1 . . 84.97(9) yes
    O7 Cd1 N1 . . 87.62(10) yes
    O2 Cd1 O6 . . 88.37(10) yes
    O4 Cd1 O6 1_565 . 168.61(9) yes
    O5 Cd1 O6 . . 51.11(8) yes
    O7 Cd1 O6 . . 96.93(9) yes
    N1 Cd1 O6 . . 83.31(9) yes
    O2 Cd1 O3 . 1_565 104.05(9) yes
    O4 Cd1 O3 1_565 1_565 49.72(9) yes
    O5 Cd1 O3 . 1_565 68.37(8) yes
    O7 Cd1 O3 . 1_565 142.98(9) yes
    N1 Cd1 O3 . 1_565 89.79(9) yes
    O6 Cd1 O3 . 1_565 119.42(7) yes
    O2 Cd1 C21 . . 94.30(10) no
    O4 Cd1 C21 1_565 . 143.52(9) no
    O5 Cd1 C21 . . 25.62(8) no
    O7 Cd1 C21 . . 122.29(10) no
    N1 Cd1 C21 . . 82.96(10) no
    O6 Cd1 C21 . . 25.50(8) no
    O3 Cd1 C21 1_565 . 93.94(9) no
    O2 Cd1 Cd2 . . 81.29(7) no
    O4 Cd1 Cd2 1_565 . 84.55(7) no
    O5 Cd1 Cd2 . . 40.44(6) no
    O7 Cd1 Cd2 . . 163.04(8) no
    N1 Cd1 Cd2 . . 109.27(7) no
    O6 Cd1 Cd2 . . 86.78(5) no
    O3 Cd1 Cd2 1_565 . 39.86(5) no
    C21 Cd1 Cd2 . . 63.34(6) no
    O2 Cd1 H1 . . 64.5(18) no
    O4 Cd1 H1 1_565 . 86(2) no
    O5 Cd1 H1 . . 153(3) no
    O7 Cd1 H1 . . 20.4(5) no
    N1 Cd1 H1 . . 107.0(13) no
    O6 Cd1 H1 . . 105(2) no
    O3 Cd1 H1 1_565 . 134(2) no
    C21 Cd1 H1 . . 130(3) no
    Cd2 Cd1 H1 . . 142.9(8) no
    O1 Cd2 O1 . 2_554 101.6(2) yes
    O1 Cd2 O3 . 1_565 86.15(13) yes
    O1 Cd2 O3 2_554 1_565 163.72(12) yes
    O1 Cd2 O3 . 2_564 163.72(12) yes
    O1 Cd2 O3 2_554 2_564 86.15(13) yes
    O3 Cd2 O3 1_565 2_564 90.09(16) yes
    O1 Cd2 O5 . . 90.04(11) yes
    O1 Cd2 O5 2_554 . 86.74(10) yes
    O3 Cd2 O5 1_565 . 78.91(10) yes
    O3 Cd2 O5 2_564 . 104.78(10) yes
    O1 Cd2 O5 . 2_554 86.74(10) yes
    O1 Cd2 O5 2_554 2_554 90.04(11) yes
    O3 Cd2 O5 1_565 2_554 104.78(10) yes
    O3 Cd2 O5 2_564 2_554 78.91(10) yes
    O5 Cd2 O5 . 2_554 174.90(12) yes
    O1 Cd2 Cd1 . 2_554 118.18(9) no
    O1 Cd2 Cd1 2_554 2_554 61.44(9) no
    O3 Cd2 Cd1 1_565 2_554 127.30(8) no
    O3 Cd2 Cd1 2_564 2_554 53.17(8) no
    O5 Cd2 Cd1 . 2_554 139.97(6) no
    O5 Cd2 Cd1 2_554 2_554 39.99(6) no
    O1 Cd2 Cd1 . . 61.44(9) no
    O1 Cd2 Cd1 2_554 . 118.18(9) no
    O3 Cd2 Cd1 1_565 . 53.17(8) no
    O3 Cd2 Cd1 2_564 . 127.30(8) no
    O5 Cd2 Cd1 . . 39.99(6) no
    O5 Cd2 Cd1 2_554 . 139.97(6) no
    Cd1 Cd2 Cd1 2_554 . 179.468(10) no
    C19 O1 Cd2 . . 146.6(3) no
    C19 O2 Cd1 . . 117.3(2) no
    C20 O3 Cd2 . 1_545 138.4(2) no
    C20 O3 Cd1 . 1_545 81.1(2) no
    Cd2 O3 Cd1 1_545 1_545 86.97(9) no
    C20 O4 Cd1 . 1_545 107.4(2) no
    C21 O5 Cd1 . . 103.7(2) no
    C21 O5 Cd2 . . 140.5(2) no
    Cd1 O5 Cd2 . . 99.57(9) no
    C21 O6 Cd1 . . 84.24(19) no
    Cd1 O7 H2 . . 142.1 no
    Cd1 O7 H1 . . 88(4) no
    H2 O7 H1 . . 118.6 no
    C1 N1 C5 . . 116.8(3) no
    C1 N1 Cd1 . . 121.2(2) no
    C5 N1 Cd1 . . 122.0(2) no
    C6 N2 C7 . . 105.1(2) no
    C6 N3 C12 . . 107.0(2) no
    C6 N3 H3A . . 126.5 no
    C12 N3 H3A . . 126.5 no
    N1 C1 C2 . . 123.9(3) no
    N1 C1 H1A . . 118.0 no
    C2 C1 H1A . . 118.0 no
    C1 C2 C3 . . 119.4(3) no
    C1 C2 H2B . . 120.3 no
    C3 C2 H2B . . 120.3 no
    C4 C3 C2 . . 116.7(3) no
    C4 C3 C6 . . 123.6(3) no
    C2 C3 C6 . . 119.7(3) no
    C3 C4 C5 . . 119.7(3) no
    C3 C4 H4A . . 120.1 no
    C5 C4 H4A . . 120.1 no
    N1 C5 C4 . . 123.3(3) no
    N1 C5 H5A . . 118.3 no
    C4 C5 H5A . . 118.3 no
    N2 C6 N3 . . 112.6(3) no
    N2 C6 C3 . . 124.4(3) no
    N3 C6 C3 . . 123.0(3) no
    N2 C7 C8 . . 129.8(3) no
    N2 C7 C12 . . 109.7(3) no
    C8 C7 C12 . . 120.5(3) no
    C9 C8 C7 . . 117.5(3) no
    C9 C8 H8A . . 121.3 no
    C7 C8 H8A . . 121.3 no
    C8 C9 C10 . . 121.6(3) no
    C8 C9 H9A . . 119.2 no
    C10 C9 H9A . . 119.2 no
    C11 C10 C9 . . 121.6(3) no
    C11 C10 H10A . . 119.2 no
    C9 C10 H10A . . 119.2 no
    C10 C11 C12 . . 116.6(3) no
    C10 C11 H11A . . 121.7 no
    C12 C11 H11A . . 121.7 no
    N3 C12 C11 . . 132.1(3) no
    N3 C12 C7 . . 105.6(3) no
    C11 C12 C7 . . 122.3(3) no
    C19 C13 C14 . . 114.8(3) no
    C19 C13 C18 . . 110.3(3) no
    C14 C13 C18 . . 110.4(2) no
    C19 C13 H13A . . 107.0 no
    C14 C13 H13A . . 107.0 no
    C18 C13 H13A . . 107.0 no
    C13 C14 C15 . . 111.3(3) no
    C13 C14 H14A . . 109.4 no
    C15 C14 H14A . . 109.5 no
    C13 C14 H14B . . 109.0 no
    C15 C14 H14B . . 109.5 no
    H14A C14 H14B . . 108.0 no
    C14 C15 C16 . . 111.2(3) no
    C14 C15 H15A . . 109.3 no
    C16 C15 H15A . . 109.6 no
    C14 C15 H15B . . 109.2 no
    C16 C15 H15B . . 109.5 no
    H15A C15 H15B . . 107.9 no
    C20 C16 C17 . . 113.0(3) no
    C20 C16 C15 . . 111.2(3) no
    C17 C16 C15 . . 110.4(3) no
    C20 C16 H16A . . 107.3 no
    C17 C16 H16A . . 107.3 no
    C15 C16 H16A . . 107.3 no
    C16 C17 C18 . . 112.0(3) no
    C16 C17 H17A . . 109.7 no
    C18 C17 H17A . . 109.0 no
    C16 C17 H17B . . 109.1 no
    C18 C17 H17B . . 109.1 no
    H17A C17 H17B . . 108.0 no
    C17 C18 C13 . . 112.2(3) no
    C17 C18 H18A . . 109.0 no
    C13 C18 H18A . . 108.4 no
    C17 C18 H18B . . 109.9 no
    C13 C18 H18B . . 109.4 no
    H18A C18 H18B . . 108.0 no
    O1 C19 O2 . . 124.1(3) no
    O1 C19 C13 . . 116.3(3) no
    O2 C19 C13 . . 119.5(3) no
    O4 C20 O3 . . 120.9(3) no
    O4 C20 C16 . . 119.3(3) no
    O3 C20 C16 . . 119.7(3) no
    O6 C21 O5 . . 120.9(3) no
    O6 C21 C22 . . 123.3(3) no
    O5 C21 C22 . . 115.7(3) no
    O6 C21 Cd1 . . 70.26(18) no
    O5 C21 Cd1 . . 50.66(16) no
    C22 C21 Cd1 . . 165.3(2) no
    C23 C22 C21 . . 115.2(3) no
    C23 C22 C24 . . 111.8(3) no
    C21 C22 C24 . . 108.0(3) no
    C23 C22 H22A . . 107.2 no
    C21 C22 H22A . . 107.2 no
    C24 C22 H22A . . 107.2 no
    C22 C23 C23 . 2_654 110.7(3) no
    C22 C23 H23B . . 108.7 no
    C23 C23 H23B 2_654 . 107.0 no
    C22 C23 H23A . . 109.3 no
    C23 C23 H23A 2_654 . 111.2 no
    H23B C23 H23A . . 109.8 no
    C22 C24 C24 . 2_654 112.0(3) no
    C22 C24 H24C . . 108.3 no
    C24 C24 H24C 2_654 . 110.0 no
    C22 C24 H24B . . 109.4 no
    C24 C24 H24B 2_654 . 107.8 no
    H24C C24 H24B . . 109.3 no
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
    O7 H2 N2 3_645 0.84 2.06 2.767(4) 141.5
    N3 H3A O6 1_565 0.86 1.94 2.755(4) 159.0
data_global
_journal_date_recd_electronic     2015-02-07
_journal_date_accepted     2015-03-23
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2015
_journal_volume     71
_journal_issue      5
_journal_page_first     369
_journal_page_last     373
_journal_paper_category     FA
_journal_paper_doi     10.1107/S2053229615005823
_journal_coeditor_code     LY3010
_publ_contact_author_name     'Lin Shen'
_publ_contact_author_address
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
_publ_contact_author_email     shenlin@fjnu.edu.cn
_publ_contact_author_fax     '86 591 22868181'
_publ_contact_author_phone     '86 591 22868181'
_publ_section_title
;\
A novel two-dimensional cadmium(II) complex:
poly[diaquatris(μ₃-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-\
yl)benzimidazole]tricadmium(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Yang, Xiu-Hong'
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
    'Yang, Ming-Xing'
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
    'Chen, Li-Juan'
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
    'Guo, Jing'
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
    'Lin, Shen'
;
College of Chemistry and Chemical Engineering
Fujian Normal University
Fuzhou
Fujian 350007
People's Republic of China
;
_publ_section_synopsis
;
A novel two-dimensional cadmium(II) complex is presented, composed of
one-dimensional
[Cd₃(4-PyBIm)₂(e,e-trans-1,4-chdc²⁻)₂(H₂O)₂] chains joined
by e,a-cis-1,4-chdc²⁻ ligands.
;
