Bis{2,4-dibromo-6-[(2-phenylethyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)
Yin, Yanli; Wang, Jinrong; Zhao, Yongliang; Huang, Liang; Acta Crystallographica Section E 67 (2011) m1642–; doi:10.1107/S160053681104459X

data_2232166
_publ_section_title
;
 Bis{2,4-dibromo-6-[(2-phenylethyl)iminomethyl]phenolato-\k^2^<i>N</i>,<i>O</i>}cobalt(II)
;
_journal_coeditor_code           BR2176
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1642
_journal_paper_doi               10.1107/S160053681104459X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C15 H12 Br2 N O)2]'
_chemical_formula_moiety         'C30 H24 Br4 Co N2 O2'
_chemical_formula_sum            'C30 H24 Br4 Co N2 O2'
_chemical_formula_weight         823.08
_chemical_name_systematic
;
Bis{2,4-dibromo-6-[(2-phenylethyl)iminomethyl]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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.5050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5087(16)
_cell_length_b                   4.8717(4)
_cell_length_c                   28.864(2)
_cell_measurement_reflns_used    5864
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.10
_cell_measurement_theta_min      2.87
_cell_volume                     2944.8(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            14453
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.041
_exptl_absorpt_correction_T_max  0.3500
_exptl_absorpt_correction_T_min  0.3250
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.778
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         2876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0324
_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^)+(0.0820P)^2^+0.8120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                2478
_reflns_number_total             2876
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2176.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2232166
_cod_database_fobs_code          2232166