Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds
Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe; Inorganic Chemistry 43 (2004) 5688–5697; doi:10.1021/ic049855t

data_4311549
_publ_section_title
;
 Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel
 to M-M (M = Rh, Ir) Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5688
_journal_page_last               5697
_journal_paper_doi               10.1021/ic049855t
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C102 H120 B2 Cl4 S2 Rh4 '
_chemical_formula_sum            'C102 H120 B2 Cl4 Rh4 S2'
_chemical_formula_weight         1985.24
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.146(9)
_cell_angle_beta                 83.98(1)
_cell_angle_gamma                87.84(1)
_cell_formula_units_Z            1
_cell_length_a                   11.5491(8)
_cell_length_b                   12.315(1)
_cell_length_c                   17.291(1)
_cell_measurement_reflns_used    4992
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2401.5(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19067
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.873
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.09
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     531
_refine_ls_number_reflns         10536
_refine_ls_R_factor_gt           0.0810
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0610P)^2^+8.3532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1941
_reflns_number_gt                6499
_reflns_number_total             10536
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic049855tsi20040204_025808_08.cif
_cod_data_source_block           9-[{(RhCp*)2(CH2)2}2SCH2(C6H4)CH2S](BPh4)2
_cod_original_cell_volume        2401.6(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C102 H120 B2 Cl4 S2 Rh4 '
_cod_database_code               4311549