Dichloridobis[5-nitro-1-trimethylsilylmethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide solvate
Akkurt, Mehmet; Yalçın, Şerife Pınar; Şireci, Nihat; Küçükbay, Hasan; Tahir, M. Nawaz; Acta Crystallographica Section E 66 (2010) m253–m254; doi:10.1107/S1600536810003922

data_2225176
_publ_section_title
;Dichloridobis[5-nitro-1-trimethylsilylmethyl-1<i>H</i>-benzimidazole-\k<i>N</i>^3^]cobalt(II)
 <i>N</i>,<i>N</i>-dimethylformamide solvate
;
_journal_coeditor_code           BT5186
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m253
_journal_page_last               m254
_journal_paper_doi               10.1107/S1600536810003922
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co Cl2 (C11 H15 N3 O2 Si)2], C3 H7 N O'
_chemical_formula_moiety         'C22 H30 Cl2 Co N6 O4 Si2, C3 H7 N O'
_chemical_formula_sum            'C25 H37 Cl2 Co N7 O5 Si2'
_chemical_formula_weight         701.63
_chemical_name_systematic
;
Dichloridobis[5-nitro-1-trimethylsilylmethyl-1<i>H</i>-benzimidazole-
\k<i>N</i>^3^]cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.041(2)
_cell_angle_beta                 107.408(2)
_cell_angle_gamma                99.040(3)
_cell_formula_units_Z            2
_cell_length_a                   9.8982(4)
_cell_length_b                   11.6936(5)
_cell_length_c                   15.9293(6)
_cell_measurement_reflns_used    4864
_cell_measurement_temperature    100
_cell_measurement_theta_max      51.0
_cell_measurement_theta_min      5.4
_cell_volume                     1631.97(12)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Brruker APEXII QUAZAR'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         ImuS
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30895
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        29.41
_diffrn_reflns_theta_max         29.41
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.808
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             730
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         8851
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0506P)^2^+0.0752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1232
_reflns_number_gt                5342
_reflns_number_total             8851
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5186.cif
_cod_data_source_block           I
_cod_database_code               2225176
_cod_database_fobs_code          2225176