Gold(I) Hydride Intermediate in Catalysis: Dehydrogenative Alcohol Silylation Catalyzed by Gold(I) Complex
Ito, Hajime; Saito, Tomohisa; Miyahara, Takahiro; Zhong, Chongmin; Sawamura, Masaya; Organometallics 28 (2009) 4829–; doi:10.1021/om900445w

data_4083448
_publ_section_title
;
 Gold(I) Hydride Intermediate in Catalysis: Dehydrogenative Alcohol
 Silylation Catalyzed by Gold(I) Complex
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4829
_journal_paper_doi               10.1021/om900445w
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C141 H144 Au6 O3 P6, C6 H12 O2, Cl'
_chemical_formula_sum            'C147 H161 Au6 Cl O5 P6'
_chemical_formula_weight         3410.98
_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                 93.6617(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   20.1779(4)
_cell_length_b                   22.5012(4)
_cell_length_c                   36.3862(7)
_cell_measurement_reflns_used    171468
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     16486.6(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 7.14
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn 724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            208114
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    5.456
_exptl_absorpt_correction_T_max  0.184
_exptl_absorpt_correction_T_min  0.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6656.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.31
_refine_diff_density_max         3.65
_refine_diff_density_min         -1.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1521
_refine_ls_number_reflns         37504
_refine_ls_number_restraints     2093
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0711P)^2^+153.0692P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1663
_reflns_number_gt                33630
_reflns_number_total             37504
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            10.cif
_cod_data_source_block           '_sc0155fx_FSP'
_cod_original_formula_sum        'C147 H161 Au6 Cl O5 P6 '
_cod_database_code               4083448