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_7043196
_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         'C20 H28 Au N8, C H4 O, 3(Cl)'
_chemical_formula_sum            'C21 H32 Au Cl3 N8 O'
_chemical_formula_weight         715.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-06-16T08:21:19-00:00
_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                 101.964(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4520(3)
_cell_length_b                   21.5282(5)
_cell_length_c                   14.1226(4)
_cell_measurement_reflns_used    8904
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.112
_cell_measurement_theta_min      2.624
_cell_volume                     2513.88(13)
_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 1
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0743727
_diffrn_orient_matrix_UB_12      -0.0112176
_diffrn_orient_matrix_UB_13      0.0090233
_diffrn_orient_matrix_UB_21      0.0296266
_diffrn_orient_matrix_UB_22      0.0037734
_diffrn_orient_matrix_UB_23      0.0504621
_diffrn_orient_matrix_UB_31      -0.0307364
_diffrn_orient_matrix_UB_32      0.0307649
_diffrn_orient_matrix_UB_33      -0.0029093
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0843
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.935
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31630
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.935
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         32.562
_diffrn_reflns_theta_min         2.463
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.203
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.429
_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    1.891
_exptl_crystal_description       prism
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.33
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         8553
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0252P)^2^+4.4431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                6764
_reflns_number_total             8553
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01272a2.cif
_cod_data_source_block           ah92a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7043196
_shelx_res_checksum              45725