A Bowl-Shaped Phosphine as a Ligand in Rhodium-Catalyzed Hydrosilylation: Rate Enhancement by a Mono(phosphine) Rhodium Species
Niyomura, Osamu; Iwasawa, Tetsuo; Sawada, Naoki; Tokunaga, Makoto; Obora, Yasushi; Tsuji, Yasushi; Organometallics 24 (2005) 3468–; doi:10.1021/om0503491

data_4075956
_publ_section_title
;
 A Bowl-Shaped Phosphine as a Ligand in Rhodium-Catalyzed
 Hydrosilylation:&#x00A0; Rate Enhancement by a Mono(phosphine) Rhodium
 Species
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3468
_journal_paper_doi               10.1021/om0503491
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C76 H77 Cl7 P Rh '
_chemical_formula_sum            'C76 H77 Cl7 P Rh'
_chemical_formula_weight         1372.49
_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
_cell_angle_beta                 105.540(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.4206(9)
_cell_length_b                   19.2472(9)
_cell_length_c                   22.0247(11)
_cell_measurement_reflns_used    13060
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6706.5(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9903
_diffrn_measured_fraction_theta_max 0.9903
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            66233
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2848.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.76
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.836
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     801
_refine_ls_number_reflns         9936
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                9936
_reflns_number_total             15254
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0503491si20050504_075808.cif
_cod_data_source_block           '__ON-463-A'
_cod_original_formula_sum        'C76 H77 Cl7 P Rh '
_cod_database_code               4075956