Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged Diruthenium Complexes
Miyake, Yoshihiro; Endo, Satoshi; Yuki, Masahiro; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki; Organometallics 27 (2008) 6039–; doi:10.1021/om800749e

data_4072308
_publ_section_title
;
 Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged
 Diruthenium Complexes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6039
_journal_paper_doi               10.1021/om800749e
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C32 H49 Cl2 O P Ru2 S '
_chemical_formula_sum            'C32 H49 Cl2 O P Ru2 S'
_chemical_formula_weight         785.82
_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                78.4177(17)
_cell_angle_beta                 81.6515(15)
_cell_angle_gamma                89.9665(16)
_cell_formula_units_Z            2
_cell_length_a                   10.5851(4)
_cell_length_b                   12.3136(7)
_cell_length_c                   13.1597(7)
_cell_measurement_reflns_used    14474
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     1661.79(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16605
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            dark_brown
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             804.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     518
_refine_ls_number_reflns         7511
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[2.7450\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0494
_reflns_number_gt                6675
_reflns_number_total             7511
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800749e_si_001.cif
_cod_data_source_block           '_anti-6cTHF'
_cod_original_cell_volume        1661.78(14)
_cod_original_formula_sum        'C32 H49 Cl2 O P Ru2 S '
_cod_database_code               4072308