Tris(<i>O</i>-methyl dithiocarbonato)cobalt(III)
Tetsuzo Ito; Acta Crystallographica Section E 59 (2003) m892–m893; doi:10.1107/S1600536803019937

data_2202544
_publ_section_title
;
 Tris(<i>O</i>-methyl dithiocarbonato)cobalt(III)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m892
_journal_page_last               m893
_journal_paper_doi               10.1107/S1600536803019937
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Co (C2 H3 O S2 )3 ] '
_chemical_formula_moiety         'C6 H9 Co O3 S6 '
_chemical_formula_sum            'C6 H9 Co O3 S6'
_chemical_formula_weight         380.48
_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'
_cell_angle_alpha                90
_cell_angle_beta                 106.235(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5520(10)
_cell_length_b                   13.4610(10)
_cell_length_c                   11.3570(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      16.5
_cell_measurement_theta_min      16.2
_cell_volume                     1402.0(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
 MSC/AFC Diffractometer Control Software
   (Molecular Structure Corporation, 1988)
;
_computing_data_reduction
;
 CrystalStructure (Molecular Structure Corporation
  and Rigaku Corporation, 2002)
;
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  CrystalStructure
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 0.9982
_diffrn_measured_fraction_theta_max 0.9982
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3550
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.55
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.104
_exptl_absorpt_correction_T_max  0.591
_exptl_absorpt_correction_T_min  0.379
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.58
_refine_ls_extinction_coef       125.9(9)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.660
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     146
_refine_ls_number_reflns         2629
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0360
_reflns_number_gt                2629
_reflns_number_total             3224
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm6056.cif
_cod_data_source_block           I
_cod_original_cell_volume        1402.1(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H9 Co O3 S6 '
_cod_database_code               2202544
_cod_database_fobs_code          2202544