“Synergistic Effects of Two Si−H Groups and a Metal Center” in Transition Metal-Catalyzed Hydrosilylation of Unsaturated Molecules: A Mechanistic Study of the RhCl(PPh3)3-Catalyzed Hydrosilylation of Ketones with 1,2-Bis(dimethylsilyl)benzene
Sunada, Yusuke; Fujimura, Yoshiki; Nagashima, Hideo; Organometallics 27 (2008) 3502–; doi:10.1021/om800151w

data_4071406
_publ_section_title
;
 &#x201C;Synergistic Effects of Two Si&#x2212;H Groups and a Metal
 Center&#x201D; in Transition Metal-Catalyzed Hydrosilylation of
 Unsaturated Molecules: A Mechanistic Study of the RhCl(PPh3)3-Catalyzed
 Hydrosilylation of Ketones with 1,2-Bis(dimethylsilyl)benzene
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3502
_journal_paper_doi               10.1021/om800151w
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C41 H51 P Rh Si4 '
_chemical_formula_sum            'C41 H51 P Rh Si4'
_chemical_formula_weight         790.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.462(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5341(13)
_cell_length_b                   38.073(4)
_cell_length_c                   12.2920(15)
_cell_measurement_reflns_used    8256
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4180.4(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.132
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38015
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.587
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1652.00
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.32
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     476
_refine_ls_number_reflns         7328
_refine_ls_R_factor_gt           0.0788
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0050Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2220
_reflns_number_gt                7254
_reflns_number_total             9532
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800151w-file002.cif
_cod_data_source_block           '_Rh(HSi-Si)(Si-Si)(PPh3)'
_cod_original_formula_sum        'C41 H51 P Rh Si4 '
_cod_database_code               4071406