A bis(benzenedithiolate)-bridged dinuclear Rh^III^ complex with capping triphenylphosphine ligands and an Rh~2~S~2~ core
Hadebe, Siphamandla W.; Robinson, Ross R.; Munro, Orde Q.; Acta Crystallographica Section E 63 (2007) m175–m177; doi:10.1107/S1600536806053037

data_2211934
_publ_section_title
;
 A bis(benzenedithiolate)-bridged dinuclear Rh^III^ complex with
 capping triphenylphosphine ligands and an Rh~2~S~2~ core
;
_journal_coeditor_code           SG2110
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m175
_journal_page_last               m177
_journal_paper_doi               10.1107/S1600536806053037
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Rh2 (C6 H4 S2)2 (C6 H5 S2)2 (C18 H15 P1)2] , 4C H2 Cl2'
_chemical_formula_moiety         'C60 H48 P2 Rh2 S8 , 4C H2 Cl2'
_chemical_formula_sum            'C64 H56 Cl8 P2 Rh2 S8'
_chemical_formula_weight         1632.93
_chemical_name_systematic
;
bis(\m-benzene-1,2-dithiolato)bis[(2-
mercaptobenzenethiolato)triphenylphosphine)rhodium(III)]
dichloromethane tetrasolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                104.781(4)
_cell_angle_beta                 97.789(4)
_cell_angle_gamma                96.089(4)
_cell_formula_units_Z            1
_cell_length_a                   10.8719(5)
_cell_length_b                   11.0495(5)
_cell_length_c                   14.2621(5)
_cell_measurement_reflns_used    15065
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.9987
_cell_measurement_theta_min      4.4352
_cell_volume                     1623.53(13)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2005)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Oxford Xcalibur2 CCD area-detector'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15977
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         4.44
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.18582
_exptl_absorpt_correction_T_max  0.87949
_exptl_absorpt_correction_T_min  0.80774
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.21563
_exptl_crystal_size_mid          0.12199
_exptl_crystal_size_min          0.04185
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.382
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.025P)^2^+2.3569P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.06
_reflns_number_gt                5476
_reflns_number_total             5650
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg2110.cif
_cod_data_source_block           IV
_cod_original_cell_volume        1623.53(12)
_cod_database_code               2211934
_cod_database_fobs_code          2211934