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_7114150
_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         'C22 H34 O2 S2 Rh2 '
_chemical_formula_sum            'C22 H34 O2 Rh2 S2'
_chemical_formula_weight         600.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Sat Apr  6 13:07:24 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 96.30(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.517(6)
_cell_length_b                   14.367(6)
_cell_length_c                   19.674(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      13.5
_cell_volume                     2393(2)
_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 AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7679
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.565
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.59
_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   1.182
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3205
_refine_ls_R_factor_gt           0.0757
_refine_ls_shift/su_max          -0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                3205
_reflns_number_total             6974
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b204765a.txt
_cod_data_source_block           Rh2S2O2
_cod_original_cell_volume        2392(2)
_cod_original_formula_sum        'C22 H34 O2 S2 Rh2 '
_cod_database_code               7114150