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_4083450
_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_sum            'C47 H48 Au Cl O P2'
_chemical_formula_weight         923.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000(4)
_cell_angle_beta                 107.6702(5)
_cell_angle_gamma                90.0000(4)
_cell_formula_units_Z            8
_cell_length_a                   22.885(2)
_cell_length_b                   16.462(2)
_cell_length_c                   23.267(3)
_cell_measurement_reflns_used    21205
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     8351.9(17)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9848
_diffrn_measured_fraction_theta_max 0.9848
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            70118
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    3.710
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         3.53
_refine_diff_density_min         -2.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     937
_refine_ls_number_reflns         18877
_refine_ls_R_factor_gt           0.0568
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.08500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1740
_reflns_number_gt                9800
_reflns_number_total             18877
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1b.cif
_cod_data_source_block           '_ito081217'
_cod_original_cell_volume        8352.2(1)
_cod_original_formula_sum        'C47 H48 Au Cl O P2 '
_cod_database_code               4083450