Structure and reactivity of a novel parallel thiosulfito (SSO2-S???S???) rhodium dinuclear complex
Shiomi, Kimie; Breedlove, Brian K.; Kitayama, Hiroaki; Nishioka, Takanori; Kinoshita, Isamu; Koga, Nobuaki; Isobe, Kiyoshi; Chemical Communications  (2002) 1756–; doi:10.1039/b204765a

data_7114151
_publ_section_title
;
 Structure and reactivity of a novel parallel thiosulfito (SSO2-S???S???)
 rhodium dinuclear complex
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1756
_journal_paper_doi               10.1039/b204765a
_journal_year                    2002
_chemical_formula_moiety         'C47 H57 B S Rh2 '
_chemical_formula_sum            'C47 H57 B Rh2 S'
_chemical_formula_weight         870.65
_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'
_audit_creation_date             'Thu Apr  4 19:25:11 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                98.007(9)
_cell_angle_beta                 95.297(7)
_cell_angle_gamma                85.428(8)
_cell_formula_units_Z            2
_cell_length_a                   12.519(1)
_cell_length_b                   14.582(1)
_cell_length_c                   11.842(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.6
_cell_volume                     2126.7(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12918
_diffrn_reflns_theta_max         29.99
_diffrn_standards_decay_%        0.55
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.39
_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   1.133
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7799
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                7799
_reflns_number_total             12389
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b204765a.txt
_cod_data_source_block           '[(RhCp*)2(CH2)2SMe](BPh4)'
_cod_original_cell_volume        2126.6(3)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C47 H57 B S Rh2 '
_cod_database_code               7114151