Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2
Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi; Organometallics 30 (2011) 2939–; doi:10.1021/om101095a

data_4064036
_publ_section_title
;
 Preparation of Incomplete Cubane-Type Ru2M(\m3-S)(\m2-Cl)3Clusters (M =
 Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel \m3-SO Ligand.
 Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to
 O&#x2550;PPh3by Molecular O2
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2939
_journal_paper_doi               10.1021/om101095a
_journal_volume                  30
_journal_year                    2011
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C22 H34 Cl5 Ru2 S Sb '
_chemical_formula_sum            'C22 H34 Cl5 Ru2 S Sb'
_chemical_formula_weight         831.73
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.759(3)
_cell_length_b                   13.574(4)
_cell_length_c                   19.806(5)
_cell_measurement_reflns_used    7518
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     2892.5(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      293.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23681
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_exptl_absorpt_coefficient_mu    2.501
_exptl_absorpt_correction_T_max  0.606
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            darkbrown
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1624.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.04
_refine_diff_density_min         -0.73
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3028 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.41(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     282
_refine_ls_number_reflns         6878
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                5463
_reflns_number_total             6878
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om101095a_si_002.cif
_cod_data_source_block           '__[(Cp^RuCl)2Cl(SSbCl2)]_(3b)'
_cod_original_cell_volume        2892.4(13)
_cod_original_formula_sum        'C22 H34 Cl5 Ru2 S Sb '
_cod_database_code               4064036