Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.
Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.; Dalton Trans.  (2017) –; doi:10.1039/C7DT01272A

data_7043197
_publ_section_title
;
 Stable AuIII complexes with four N-heterocyclic carbene groups can be
 prepared in high yield directly from KAuCl4.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01272A
_journal_year                    2017
_chemical_formula_moiety         'C30 H28 Au N8, 3(Cl), 3.5(C H4 O)'
_chemical_formula_sum            'C33.5 H42 Au Cl3 N8 O3.5'
_chemical_formula_weight         916.07
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-07-05T17:09:26-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-01-20 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.985(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5286(4)
_cell_length_b                   18.4128(5)
_cell_length_c                   16.9015(6)
_cell_measurement_reflns_used    6164
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.944
_cell_measurement_theta_min      3.498
_cell_volume                     3543.7(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Diamond (Brandenburg, K., (1999)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4738
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.1298711
_diffrn_orient_matrix_UB_12      0.0082243
_diffrn_orient_matrix_UB_13      -0.0379156
_diffrn_orient_matrix_UB_21      -0.031938
_diffrn_orient_matrix_UB_22      0.0194907
_diffrn_orient_matrix_UB_23      0.0826264
_diffrn_orient_matrix_UB_31      0.0206101
_diffrn_orient_matrix_UB_32      0.0808904
_diffrn_orient_matrix_UB_33      -0.0161054
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17415
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.329
_diffrn_reflns_theta_max         67.329
_diffrn_reflns_theta_min         3.574
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    10.284
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
      CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_description       prism
_exptl_crystal_F_000             1828
_exptl_crystal_size_max          0.147
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.057
_refine_diff_density_max         2.749
_refine_diff_density_min         -2.259
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3272
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0900P)^2^+28.2195P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.143
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                2540
_reflns_number_total             3272
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01272a2.cif
_cod_data_source_block           ah154a3
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_original_formula_sum        'C33.50 H42 Au Cl3 N8 O3.50'
_cod_database_code               7043197
_shelx_res_checksum              76427