Selective Au‒C Cleavage in (C∧N∧C)Au(III) Aryl and Alkyl Pincer Complexes
Smith, Dan A.; Roşca, Dragoş-Adrian; Bochmann, Manfred; Organometallics 31 (2012) 5998–; doi:10.1021/om300666j

data_4079306
_publ_section_title
;
 Selective Au--C Cleavage in (C&#x2227;N&#x2227;C)Au(III) Aryl and Alkyl
 Pincer Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              5998
_journal_paper_doi               10.1021/om300666j
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C27 H27 Au F3 N O2'
_chemical_formula_sum            'C27 H27 Au F3 N O2'
_chemical_formula_weight         651.25
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.656(4)
_cell_angle_beta                 91.252(2)
_cell_angle_gamma                109.791(4)
_cell_formula_units_Z            4
_cell_length_a                   10.822(3)
_cell_length_b                   15.703(5)
_cell_length_c                   16.449(5)
_cell_measurement_reflns_used    11056
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      0.292
_cell_measurement_theta_min      0.238
_cell_volume                     2409.9(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22248
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    6.152
_exptl_absorpt_correction_T_max  0.3725
_exptl_absorpt_correction_T_min  0.2597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.32.24
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         10964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.0246
_refine_ls_R_factor_gt           0.0195
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0110P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0383
_refine_ls_wR_factor_ref         0.0393
_reflns_number_gt                8972
_reflns_number_total             10964
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om300666j_si_002.cif
_cod_data_source_block           217
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4079306