Bis{2,4-dibromo-6-[3-(cyclohexylamino)propyliminomethyl]phenolato}cobalt(III) perchlorate
Kun Li; Shan-Shan Huang; Qin Zhou; Hong Li; Yun-Peng Diao; Acta Crystallographica Section E 63 (2007) m2274–m2274; doi:10.1107/S1600536807037579

data_2214936
_publ_section_title
;Bis{2,4-dibromo-6-[3-(cyclohexylamino)propyliminomethyl]phenolato}cobalt(III)
 perchlorate
;
_journal_coeditor_code           AT2358
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2274
_journal_page_last               m2274
_journal_paper_doi               10.1107/S1600536807037579
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C16 H21 Br2 N2 O)2] Cl O4'
_chemical_formula_moiety         'C32 H42 Br4 Co N4 O2 + , Cl O4 -'
_chemical_formula_sum            'C32 H42 Br4 Cl Co N4 O6'
_chemical_formula_weight         992.72
_chemical_name_systematic
;
Bis{2,4-dibromo-6-[3-(cyclohexylamino)propyliminomethyl]phenolato}cobalt(III)
perchlorate
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.208(3)
_cell_length_b                   12.801(3)
_cell_length_c                   18.060(4)
_cell_measurement_reflns_used    1447
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      2.3
_cell_volume                     3701.8(14)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \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  0.1415
_diffrn_reflns_av_sigmaI/netI    0.1769
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30784
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.901
_exptl_absorpt_correction_T_max  0.3031
_exptl_absorpt_correction_T_min  0.2946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.124
_refine_diff_density_min         -0.755
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         8354
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.2157
_refine_ls_R_factor_gt           0.0752
_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^)+(0.0821P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.2125
_reflns_number_gt                3168
_reflns_number_total             8354
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2358.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214936
_cod_database_fobs_code          2214936