[(4-Bromophenyl)(2-pyridylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)
Harding, Phimphaka; Harding, David J.; Soponrat, Nitisastr; Adams, Harry; Acta Crystallographica Section E 66 (2010) m1138–m1139; doi:10.1107/S1600536810032757

data_2228187
_publ_section_title
;
 [(4-Bromophenyl)(2-pyridylmethylidene)amine-\k^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-\k^2^<i>O</i>,<i>O</i>')cobalt(II)
;
_journal_coeditor_code           ZS2056
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1138
_journal_page_last               m1139
_journal_paper_doi               10.1107/S1600536810032757
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C5 H F6 O2)2 (C12 H9 Br N2)]'
_chemical_formula_moiety         'C22 H11 Br Co F12 N2 O4'
_chemical_formula_sum            'C22 H11 Br Co F12 N2 O4'
_chemical_formula_weight         734.17
_chemical_name_systematic
;
[(4-Bromophenyl)(2-pyridylmethylidene)amine-
\k^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-
\k^2^<i>O</i>,<i>O</i>')cobalt(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.0420(10)
_cell_angle_beta                 86.5100(10)
_cell_angle_gamma                77.0800(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3568(2)
_cell_length_b                   10.9420(2)
_cell_length_c                   14.8151(3)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.822
_cell_measurement_theta_min      2.864
_cell_volume                     1269.51(5)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0200
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21525
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    2.372
_exptl_absorpt_correction_T_max  0.9322
_exptl_absorpt_correction_T_min  0.3303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.226
_refine_diff_density_min         -0.906
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0348
_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^)+(0.0399P)^2^+2.4170P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0900
_reflns_number_gt                4508
_reflns_number_total             5176
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2056.cif
_cod_data_source_block           I
_cod_database_code               2228187
_cod_database_fobs_code          2228187