<i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-μ-benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
Li, Chun-Jiang; Lu, Jing-Mei; Tu, Fan; Chen, Jing-Ying; Li, Yu-Jia; Acta Crystallographica Section E 67 (2011) m269–m270; doi:10.1107/S1600536811001243

data_2229095
_publ_section_title
;
 <i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole-\k^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-\m-benzene-1,3-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^3^]
;
_journal_coeditor_code           HY2397
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m269
_journal_page_last               m270
_journal_paper_doi               10.1107/S1600536811001243
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C8 H4 O4) (C8 H7 N3)2]'
_chemical_formula_moiety         'C24 H18 Cd N6 O4'
_chemical_formula_sum            'C24 H18 Cd N6 O4'
_chemical_formula_weight         566.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole-
\k^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-\m-benzene-1,3-dicarboxylato-
\k^2^<i>O</i>^1^:<i>O</i>^3^]
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_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                   8.720(5)
_cell_length_b                   20.102(4)
_cell_length_c                   13.483(5)
_cell_measurement_reflns_used    2329
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      52.00
_cell_measurement_theta_min      2.00
_cell_volume                     2363.4(17)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \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  0.0600
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11996
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_meas      1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.688
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2330
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0510P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.1003
_reflns_number_gt                1298
_reflns_number_total             2330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2397.cif
_cod_data_source_block           I
_cod_database_code               2229095
_cod_database_fobs_code          2229095