<i>cis</i>-Dichlorido(3-chloro-2-methyliminophenyl-κ^2^<i>C</i>^1^,<i>N</i>)-<i>trans</i>-bis(trimethylphosphine-κ<i>P</i>)cobalt(III)
Chen, Yue; Zhou, Jin; Li, Xiaoyan; Acta Crystallographica Section E 64 (2008) m210–m210; doi:10.1107/S1600536807062654

data_2217190
_publ_section_title
<i>cis</i>-Dichlorido(3-chloro-2-methyliminophenyl-\k^2^<i>C</i>^1^,<i>N</i>)-<i>trans</i>-bis(trimethylphosphine-\k<i>P</i>)cobalt(III)
_journal_coeditor_code           LN2014
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m210
_journal_page_last               m210
_journal_paper_doi               10.1107/S1600536807062654
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co Cl2 (C8 H7 Cl N) (C3 H9 P)2]'
_chemical_formula_moiety         'C14 H25 Cl3 Co N P2'
_chemical_formula_sum            'C14 H25 Cl3 Co N P2'
_chemical_formula_weight         434.57
_chemical_name_systematic
;
cis-Dichlorido(3-chloro-2-methyliminophenyl-\k^2^C^1^,N)-trans-
bis(trimethylphosphine-\kP)cobalt(III)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5530(17)
_cell_length_b                   10.543(2)
_cell_length_c                   21.769(4)
_cell_measurement_reflns_used    3063
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.357
_cell_measurement_theta_min      3.088
_cell_volume                     1963.0(6)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16045
_diffrn_reflns_theta_full        28.46
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        0.02
_diffrn_standards_interval_count 5
_diffrn_standards_number         2699
_exptl_absorpt_coefficient_mu    1.439
_exptl_absorpt_correction_T_max  0.6888
_exptl_absorpt_correction_T_min  0.6721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.426
_refine_ls_abs_structure_details 'Flack (1983), 2082 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.001(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         4910
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0246
_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^)+(0.0416P)^2^+0.7929P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                4868
_reflns_number_total             4910
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ln2014.cif
_cod_data_source_block           I
_cod_original_cell_volume        1963.0(7)
_cod_database_code               2217190
_cod_database_fobs_code          2217190