Dichloridobis{6-methyl-2-[(trimethylsilyl)amino]pyridine-κ<i>N</i>^1^}cobalt(II)
Xue, Xiaoyan; Chen, Xia; Tong, Hongbo; Acta Crystallographica Section E 65 (2009) m957–; doi:10.1107/S1600536809027937

data_2222687
_publ_section_title
Dichloridobis{6-methyl-2-[(trimethylsilyl)amino]pyridine-\k<i>N</i>^1^}cobalt(II)
_journal_coeditor_code           FK2001
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m957
_journal_paper_doi               10.1107/S1600536809027937
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co Cl2 (C9 H16 N2 Si)2]'
_chemical_formula_moiety         'C18 H32 Cl2 Co N4 Si2'
_chemical_formula_sum            'C18 H32 Cl2 Co N4 Si2'
_chemical_formula_weight         490.49
_chemical_name_systematic
;
Dichloridobis{6-methyl-2-[(trimethylsilyl)amino]pyridine-
\k<i>N</i>^1^}cobalt(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.09(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.817(3)
_cell_length_b                   12.554(4)
_cell_length_c                   14.886(2)
_cell_measurement_reflns_used    2926
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      260639
_cell_measurement_theta_min      2.227
_cell_volume                     2527.8(11)
_computing_cell_refinement       'SAINT (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SAINT (Bruker, 1996)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_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  0.0197
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5113
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  0.8257
_exptl_absorpt_correction_T_min  0.7544
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0334
_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^)+(0.0559P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                1905
_reflns_number_total             2224
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fk2001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom and difmap' was changed
to 'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2527.8(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2222687
_cod_database_fobs_code          2222687