Isolation of the Novel Dirhodium(II/II) Thiolate Compound Rh2(η1-C6H5S)2(μ-C6H5S)2(bpy)2
Karn Sorasaenee; José Ramón Galán-Mascarós; Kim R. Dunbar; Inorganic Chemistry 42 (2003) 661–663; doi:10.1021/ic020630x

data_4313037
_publ_section_title
;
 Isolation of the Novel Dirhodium(II/II) Thiolate Compound
 Rh2(\h1-C6H5S)2(\m-C6H5S)2(bpy)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              661
_journal_page_last               663
_journal_paper_doi               10.1021/ic020630x
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C44 H40 N4 O Rh2 S4'
_chemical_formula_weight         974.86
_chemical_name_systematic
;
   ?
;
_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                90.00
_cell_angle_beta                 108.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.398(4)
_cell_length_b                   11.861(2)
_cell_length_c                   17.417(4)
_cell_measurement_temperature    110(2)
_cell_volume                     3984.8(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al., 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.874
_diffrn_measured_fraction_theta_max 0.874
_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  0.1009
_diffrn_reflns_av_sigmaI/netI    0.2015
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8966
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    1.079
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1976
_refine_diff_density_max         2.917
_refine_diff_density_min         -3.326
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4331
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1796
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          27.354
_refine_ls_shift/su_mean         0.937
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0750P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.2928
_reflns_number_gt                1980
_reflns_number_total             4331
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic020630x.cif
_cod_data_source_block           Rh2(_1-C6H5S)2(_-C6H5S)2(bpy)2*CH3OH
_cod_original_cell_volume        3984.9(14)
_cod_database_code               4313037