Coordination of a Triphosphine–Silane to Gold: Formation of a Trigonal Pyramidal Complex Featuring Au+→ Si Interaction
Gualco, Pauline; Mallet-Ladeira, Sonia; Kameo, Hajime; Nakazawa, Hiroshi; Mercy, Maxime; Maron, Laurent; Amgoune, Abderrahmane; Bourissou, Didier; Organometallics 34 (2015) 1449–; doi:10.1021/om501154d

data_4085677
_publ_section_title
;
 Coordination of a Triphosphine--Silane to Gold: Formation of a Trigonal
 Pyramidal Complex Featuring Au+\\rightarrow Si Interaction
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1449
_journal_paper_doi               10.1021/om501154d
_journal_volume                  34
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C36 H54 Au F P3 Si, Cl'
_chemical_formula_sum            'C36 H54 Au Cl F P3 Si'
_chemical_formula_weight         859.21
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.8818(4)
_cell_length_b                   11.8818(4)
_cell_length_c                   49.134(3)
_cell_measurement_reflns_used    6208
_cell_measurement_temperature    193
_cell_measurement_theta_max      33.02
_cell_measurement_theta_min      5.95
_cell_measurement_wavelength     0.71073
_cell_volume                     6007.3(5)
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            11104
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         5.95
_exptl_absorpt_coefficient_mu    3.917
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
;
_refine_diff_density_max         1.747
_refine_diff_density_min         -2.133
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         2414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.04
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+32.4179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.081
_refine_ls_wR_factor_ref         0.0823
_reflns_number_gt                2260
_reflns_number_total             2414
_reflns_threshold_expression     >2/sigma(I)
_cod_data_source_file            om501154d_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 4085676--4085677.cif.'
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4085677