Bis[2,4-dibromo-6-(1-naphthyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cobalt(II)
Liu, Zheng; Jin, Li Xia; Xia, Jin Hong; Liu, Er Xi; Li, Guang Zhao; Acta Crystallographica Section E 63 (2007) m3037–m3037; doi:10.1107/S1600536807053044

data_2216189
_publ_section_title
Bis[2,4-dibromo-6-(1-naphthyliminomethyl)phenolato-\k^2^<i>N</i>,<i>O</i>]bis(<i>N</i>,<i>N</i>'-dimethylformamide-\k<i>O</i>)cobalt(II)
_journal_coeditor_code           AT2437
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3037
_journal_page_last               m3037
_journal_paper_doi               10.1107/S1600536807053044
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C17 H10 Br2 N O)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C40 H34 Br4 Co N4 O4'
_chemical_formula_sum            'C40 H34 Br4 Co N4 O4'
_chemical_formula_weight         1013.28
_chemical_name_systematic
;
Bis[2,4-dibromo-6-(1-naphthyliminomethyl)phenolato-\k^2^<i>N</i>,<i>O</i>]\
bis(N,N'-dimethylformamide-\kO)cobalt(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.310(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2884(15)
_cell_length_b                   17.069(2)
_cell_length_c                   19.373(2)
_cell_measurement_reflns_used    3177
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.108
_cell_measurement_theta_min      2.602
_cell_volume                     4052.0(8)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SAINT (Bruker, 2001)'
_computing_data_reduction        'SHELXTL (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 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  0.0901
_diffrn_reflns_av_sigmaI/netI    0.1217
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20849
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.413
_exptl_absorpt_correction_T_max  0.5770
_exptl_absorpt_correction_T_min  0.4576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2004
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.751
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1496
_refine_ls_R_factor_gt           0.0571
_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^)+(0.0363P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                2955
_reflns_number_total             7147
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2437.cif
_cod_data_source_block           I
_cod_original_cell_volume        4052.0(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216189
_cod_database_fobs_code          2216189