Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.
Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K; Journal of the American Chemical Society 141 (2019) 17414–17420; doi:10.1021/jacs.9b09363

data_4127856
_publ_section_title
;
 Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17414
_journal_page_last               17420
_journal_paper_doi               10.1021/jacs.9b09363
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C32 H23 Au F6 N3 O4 P S2'
_chemical_formula_weight         919.59
_chemical_name_common            '1a in manuscript'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                85.7835(10)
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_cell_length_c                   17.3448(8)
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_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II Quazar area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0425
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.054
_diffrn_reflns_theta_min         1.897
_diffrn_source                   'ImuS microsource'
_exptl_absorpt_coefficient_mu    4.745
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2008). <i>SADABS</i>. University of G\"ottingen, Germany.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6455
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+1.5025P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                5553
_reflns_number_total             6455
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b09363_si_002.cif
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_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.915
_shelx_res_checksum              26965
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