Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)
Zhu, Gang; Jiao, Bao-Juan; Acta Crystallographica Section E 69 (2013) m156–; doi:10.1107/S1600536813003747

data_2237482
_publ_section_title
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 Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-\k^2^<i>N</i>,<i>O</i>}cobalt(II)
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_journal_coeditor_code           HB7032
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m156
_journal_paper_doi               10.1107/S1600536813003747
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co (C15 H12 Br Cl N O)2]'
_chemical_formula_moiety         'C30 H24 Br2 Cl2 Co N2 O2'
_chemical_formula_sum            'C30 H24 Br2 Cl2 Co N2 O2'
_chemical_formula_weight         734.16
_chemical_name_systematic
Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-\k^2^<i>N</i>,<i>O</i>}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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.380(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.608(2)
_cell_length_b                   24.157(4)
_cell_length_c                   11.354(2)
_cell_measurement_reflns_used    10097
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.123
_cell_measurement_theta_min      2.103
_cell_volume                     2899.9(9)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELTXL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku AFC10/Saturn724+'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            32947
_diffrn_reflns_theta_full        29.12
_diffrn_reflns_theta_max         29.12
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.563
_exptl_absorpt_correction_T_max  0.6827
_exptl_absorpt_correction_T_min  0.2742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2008)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.634
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         7718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+0.5160P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1194
_reflns_number_gt                6813
_reflns_number_total             7718
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb7032.cif
_cod_data_source_block           I
_cod_original_cell_volume        2899.8(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237482
_cod_database_fobs_code          2237482