<i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
Li, Bing-Bing; Xiao, Bo; Acta Crystallographica Section E 65 (2009) m756–m757; doi:10.1107/S1600536809021618

data_2222319
_publ_section_title
<i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato-\k^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-\m-1,4-bis(imidazol-1-ylmethyl)benzene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]
_journal_coeditor_code           HB2986
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m756
_journal_page_last               m757
_journal_paper_doi               10.1107/S1600536809021618
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cd (C8 H11 O4)2 (C14 H14 N4)]'
_chemical_formula_moiety         'C30 H36 Cd N4 O8'
_chemical_formula_sum            'C30 H36 Cd N4 O8'
_chemical_formula_weight         693.03
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato-
\k^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-\m-1,4-bis(imidazol-1-
ylmethyl)benzene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6317(5)
_cell_length_b                   19.9697(12)
_cell_length_c                   12.3703(7)
_cell_measurement_reflns_used    3190
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      3.01
_cell_volume                     3120.4(3)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1162
_diffrn_reflns_av_sigmaI/netI    0.0838
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            26676
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         4.69
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.621
_refine_diff_density_min         -0.301
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0575P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                1658
_reflns_number_total             3190
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2986.cif
_cod_data_source_block           I
_cod_database_code               2222319
_cod_database_fobs_code          2222319