Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).
Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean; Journal of the American Chemical Society 138 (2016) 587–593; doi:10.1021/jacs.5b10720

data_4129815
_publ_section_title
;
 Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination
 from Gold(III).
;
_journal_issue                   2
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              587
_journal_page_last               593
_journal_paper_doi               10.1021/jacs.5b10720
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C30 H19 Au Cl F6 P'
_chemical_formula_weight         756.84
_chemical_name_common            KH-907
_chemical_name_systematic
; 
 toste112 
;
_space_group.centring_type       primitive
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90
_cell_angle_beta                 104.117(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7273(4)
_cell_length_b                   24.5770(11)
_cell_length_c                   13.4107(6)
_cell_measurement_reflns_used    6547
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      21.79
_cell_measurement_theta_min      2.53
_cell_volume                     2789.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
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_diffrn_ambient_temperature      250(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1252
_diffrn_reflns_av_unetI/netI     0.1201
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_refln_scan_rate          10
_diffrn_refln_scan_width         1.0
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33748
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.378
_diffrn_reflns_theta_min         1.657
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    5.485
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.396
_refine_diff_density_min         -1.219
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5117
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+3.4180P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0925
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2893
_reflns_number_total             5117
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b10720_si_003.cif
_cod_data_source_block           toste112
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4129815
_shelx_estimated_absorpt_t_min   0.853
_shelx_estimated_absorpt_t_max   0.898
_shelxl_version_number           2014-3
_shelx_res_checksum              39494
_shelx_hkl_checksum              90048