<i>catena</i>-Poly[[(diiodidocadmium)-μ-{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
Liu, Bingtao; Zhao, Lei; Li, Ting; Meng, Xiangru; Acta Crystallographica Section E 67 (2011) m1901–; doi:10.1107/S1600536811050823

data_2232995
_publ_section_title
;
 <i>catena</i>-Poly[[(diiodidocadmium)-\m-{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-\k^2^<i>N</i>:<i>N</i>'}]
 <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_journal_coeditor_code           WM2569
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1901
_journal_paper_doi               10.1107/S1600536811050823
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd I2 (C11 H10 N4)], C3 H7 N O'
_chemical_formula_moiety         'C11 H10 Cd I2 N4, C3 H7 N O'
_chemical_formula_sum            'C14 H17 Cd I2 N5 O'
_chemical_formula_weight         637.53
_chemical_name_systematic
;
<i>catena</i>-Poly[[(diiodidocadmium)-\m-{1-[(1<i>H</i>-benzimidazol-
2-yl)methyl]-1<i>H</i>-imidazole-\k^2^<i>N</i>:<i>N</i>'}]
<i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 96.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2216(14)
_cell_length_b                   17.181(3)
_cell_length_c                   16.374(3)
_cell_measurement_reflns_used    5502
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8326
_cell_measurement_theta_min      2.5030
_cell_volume                     2019.2(7)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16931
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.149
_exptl_absorpt_correction_T_max  0.6818
_exptl_absorpt_correction_T_min  0.5750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2006)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.767
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+1.5990P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                3597
_reflns_number_total             3950
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2569.cif
_cod_data_source_block           I
_cod_original_cell_volume        2019.1(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232995
_cod_database_fobs_code          2232995