Migratory Insertion of Carbenes into Au(III)‒C Bonds
Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean; Journal of the American Chemical Society  (2017) –; doi:10.1021/jacs.7b11435

data_4126898
_publ_section_title
;
 Migratory Insertion of Carbenes into Au(III)--C Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.7b11435
_journal_year                    2017
_chemical_formula_moiety         'C33 H42 Au F6 N3 O6 S2'
_chemical_formula_sum            'C33 H42 Au F6 N3 O6 S2'
_chemical_formula_weight         951.78
_chemical_name_common            cmh_az_0115
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_gamma                90
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_cell_length_b                   21.339(2)
_cell_length_c                   17.8939(19)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.22
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.733
_diffrn_measured_fraction_theta_max 0.739
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.733
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_diffrn_reflns_theta_max         25.446
_diffrn_reflns_theta_min         1.527
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    3.978
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_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
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5307
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0615
_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^)+(0.0621P)^2^+41.0833P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             5307
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b11435_si_004.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        3874.6(7)
_cod_database_code               4126898
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.382
_shelx_estimated_absorpt_t_max   0.716
_shelx_res_checksum              80087
_shelx_hkl_checksum              22578