<i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl-κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]
Awan, Shafique Ahmad; Tahir, M. Nawaz; Muhammad, Iram Khushi; Ahmad, Saeed; Tariq, Muhammad Ilyas; Acta Crystallographica Section E 67 (2011) m576–m577; doi:10.1107/S1600536811013067

data_2230145
_publ_section_title
;
 <i>cyclo</i>-Tetrakis(\m~2~-3-sulfidopropyl-\k^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]
;
_journal_coeditor_code           SI2349
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m576
_journal_page_last               m577
_journal_paper_doi               10.1107/S1600536811013067
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co4 Cl4 (C3 H6 S)]4]'
_chemical_formula_moiety         'C12 H24 Cl4 Co4 S4'
_chemical_formula_sum            'C12 H24 Cl4 Co4 S4'
_chemical_formula_weight         674.07
_chemical_name_systematic
;
<i>cyclo</i>-Tetrakis(\m~2~-3-sulfidopropyl-
\k^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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
_cell_angle_beta                 130.440(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.6135(12)
_cell_length_b                   7.8465(3)
_cell_length_c                   16.8693(9)
_cell_measurement_reflns_used    1782
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.27
_cell_volume                     2378.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
PLATON (Spek, 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.10
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_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  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0303
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13736
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         2.27
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.537
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.621
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         2152
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0653P)^2^+15.5359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                1782
_reflns_number_total             2152
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            si2349.cif
_cod_data_source_block           I
_cod_original_cell_volume        2378.9(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2230145
_cod_database_fobs_code          2230145