Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.
Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long; Inorganic chemistry 55 (2016) 2274–2283; doi:10.1021/acs.inorgchem.5b02634

data_4347029
_publ_section_title
;
 Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond
 Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2274
_journal_page_last               2283
_journal_paper_doi               10.1021/acs.inorgchem.5b02634
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C34 H48 Au Cl F2.5 N0.5 O2 P2'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
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_diffrn_reflns_av_unetI/netI     0.0322
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_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.376
_diffrn_reflns_theta_min         2.975
_exptl_absorpt_coefficient_mu    4.454
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64429
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            'pale yellow'
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_exptl_crystal_description       block
_exptl_crystal_F_000             1680
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_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.030
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.098
_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_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0261
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
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 w=1/[\s^2^(Fo^2^)+(0.0224P)^2^+5.0247P]
 where P=(Fo^2^+2Fc^2^)/3
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_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
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_reflns_number_gt                6619
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1
_cod_original_cell_volume        3468.6(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C34 H48 Au Cl F2.50 N0.50 O2 P2'
_cod_database_code               4347029
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