Dichlorobis(1-methyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)cobalt(II)
Yongkui Shan; Mayra E. Cádiz; Pedro L. Sánchez; Songping D. Huang; Acta Crystallographica Section C 55 (1999) 1262–1263; doi:10.1107/S0108270199004904

data_2008745
_publ_section_title
;
 Dichlorobis(1-methyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)cobalt(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1262
_journal_page_last               1263
_journal_paper_doi               10.1107/S0108270199004904
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Co Cl2 (C8 H8 N2)2]'
_chemical_formula_moiety         'C16 H16 Cl2 Co N4 '
_chemical_formula_sum            'C16 H16 Cl2 Co N4'
_chemical_formula_weight         394.17
_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'
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                90
_cell_angle_beta                 98.6760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3231(7)
_cell_length_b                   11.3446(7)
_cell_length_c                   13.9047(9)
_cell_measurement_reflns_used    6387
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      1.59
_cell_volume                     1765.70(19)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_publication_material  TEXSAN
_computing_structure_refinement
'TEXSAN (Molecular Structure Corporation, 1992-1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      296.0(10)
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9109
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.04
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.28
_exptl_absorpt_correction_T_max  0.68
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'simulated \y scans (SADABS; Sheldrick, 1996) '
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.48
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             804.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.19
_refine_ls_goodness_of_fit_ref   1.33
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2446
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.047
_refine_ls_R_factor_gt           0.043
_refine_ls_shift/su_max          '< 0.001'
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.076
_refine_ls_wR_factor_ref         0.070
_reflns_number_gt                2446
_reflns_number_total             3633
_reflns_threshold_expression     I>2.5\s(I)
_cod_data_source_file            bk1432.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'empirical ' changed to
'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1765.7(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H16 Cl2 Co N4 '
_cod_database_code               2008745