A Hexacobalt Sulfide Cluster Compound, [Co~6~(μ-S)~8~(PPh~3~)~6~].2PPh~3~.2C~2~H~4~Cl~2~.H~2~O
Jiang, F.; Huang, X.; Cao, R.; Hong, M.; Liu, H.; Acta Crystallographica Section C 51 (1995) 1275–1278; doi:10.1107/S0108270194014873

data_2003689
_publ_section_title
;
 A Hexacobalt Sulfide Cluster Compound,
 [Co~6~(\m-S)~8~(PPh~3~)~6~].2PPh~3~.2C~2~H~4~Cl~2~.H~2~O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1275
_journal_page_last               1278
_journal_paper_doi               10.1107/S0108270194014873
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety
'C108 H90 Co6 P6 S8 , 2C18 H15 P , 2C2 H4 Cl2 , H2'
_chemical_formula_sum            'C148 H130 Cl4 Co6 O P8 S8'
_chemical_formula_weight         2924.34
_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_type_scat_source           IntTabIV
_cell_angle_alpha                102.80(3)
_cell_angle_beta                 116.77(3)
_cell_angle_gamma                79.94(3)
_cell_formula_units_Z            1
_cell_length_a                   15.347(7)
_cell_length_b                   17.493(5)
_cell_length_c                   15.0003(8)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      12
_cell_measurement_theta_min      6
_cell_volume                     3493(2)
_diffrn_measurement_device       'Rigaku MSC/AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12793
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_description       pyramid
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.97
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.40
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     811
_refine_ls_number_reflns         6624
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.41
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.069
_reflns_number_observed          6624
_reflns_number_total             12280
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            kh1003.cif
_cod_data_source_block           kh1003a
_cod_original_cell_volume        3494(3)
_cod_database_code               2003689