Bis[2,4-dibromo-6-(<i>n</i>-propyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)
Li, Chunyan; Li, Rui; Zhang, Shufang; Acta Crystallographica Section E 66 (2010) m1123–; doi:10.1107/S1600536810032162

data_2228184
_publ_section_title
;
 Bis[2,4-dibromo-6-(<i>n</i>-propyliminomethyl)phenolato-\k^2^<i>N</i>,<i>O</i>]cobalt(II)
;
_journal_coeditor_code           ZS2053
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1123
_journal_paper_doi               10.1107/S1600536810032162
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C10 H10 Br2 N O)2]'
_chemical_formula_moiety         'C20 H20 Br4 Co N2 O2'
_chemical_formula_sum            'C20 H20 Br4 Co N2 O2'
_chemical_formula_weight         698.91
_chemical_name_systematic
;
Bis[2,4-dibromo-6-(<i>n</i>-propyliminomethyl)phenolato-
\k^2^<i>N</i>,<i>O</i>]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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.523(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.3684(10)
_cell_length_b                   4.8555(2)
_cell_length_c                   21.8132(10)
_cell_measurement_reflns_used    1806
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.53
_cell_measurement_theta_min      3.32
_cell_volume                     2329.09(19)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            6076
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.85
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.618
_exptl_absorpt_correction_T_max  0.2178
_exptl_absorpt_correction_T_min  0.0966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.496
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         2270
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0251P)^2^+0.88P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                1657
_reflns_number_total             2270
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2053.cif
_cod_data_source_block           I
_cod_original_cell_volume        2329.08(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2228184
_cod_database_fobs_code          2228184