Trichloro[(1<i>H</i>-benzimidazol-2-ylmethyl)(ethyl)ammonium-<i>N</i>^3^]cobalt(II)
Cooley, J. A.; Kamaras, P.; Rapta, M.; Jameson, G. B.; Acta Crystallographica Section C 51 (1995) 1811–1813; doi:10.1107/S0108270195003349

data_2003887
_publ_section_title
Trichloro[(1<i>H</i>-benzimidazol-2-ylmethyl)(ethyl)ammonium-<i>N</i>^3^]cobalt(II)
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1811
_journal_page_last               1813
_journal_paper_doi               10.1107/S0108270195003349
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H14 Cl3 Co N3'
_chemical_formula_weight         341.52
_chemical_name_common            '[(H)N2-ethyl]CoCl~3~'
_chemical_name_systematic
;
 Trichloro [N-(2-benzimidazolylmethyl)ethylammonium-N']cobalt(II)
;
_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           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 93.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9200(10)
_cell_length_b                   16.409(3)
_cell_length_c                   7.753(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      5
_cell_volume                     1386.0(11)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990)'
_computing_publication_material  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measurement_device       'Siemens P4/RA four-circle'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode (14 kW)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            3137
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.797
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark blue'
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_description       Plate
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.305
_refine_diff_density_min         -0.537
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.046
_refine_ls_goodness_of_fit_obs   1.058
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         2410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_restrained_S_obs      1.058
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_obs          0.0300
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0448P)^2^ + 0.8951P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0861
_refine_ls_wR_factor_obs         0.0817
_reflns_number_observed          2246
_reflns_number_total             2413
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1022.cif
_cod_data_source_block           coeth
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H14 Cl3 Co1 N3'
_cod_database_code               2003887