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_7043198
_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         'C18 H28 Au Cl2 N8, Cl, 2(C H4 O)'
_chemical_formula_sum            'C20 H32 Au Cl3 N8 O2'
_chemical_formula_weight         719.85
_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             2016-04-29T11:48:03-00:00
_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                 100.893(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2465(4)
_cell_length_b                   12.5742(5)
_cell_length_c                   18.5100(7)
_cell_measurement_reflns_used    8531
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.751
_cell_measurement_theta_min      2.047
_cell_volume                     2570.44(17)
_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 16.0009
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0493495
_diffrn_orient_matrix_UB_12      -0.0054788
_diffrn_orient_matrix_UB_13      -0.0185531
_diffrn_orient_matrix_UB_21      -0.0405696
_diffrn_orient_matrix_UB_22      -0.0157189
_diffrn_orient_matrix_UB_23      -0.0323661
_diffrn_orient_matrix_UB_31      -0.0068155
_diffrn_orient_matrix_UB_32      0.0538584
_diffrn_orient_matrix_UB_33      -0.0113203
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1079
_diffrn_reflns_av_unetI/netI     0.0796
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24788
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.998
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         2.455
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.07
_exptl_absorpt_correction_T_max  0.665
_exptl_absorpt_correction_T_min  0.204
_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    1.86
_exptl_crystal_description       plate
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.638
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.069
_refine_diff_density_max         4.765
_refine_diff_density_min         -2.329
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         14559
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1400P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.1887
_reflns_number_gt                11983
_reflns_number_total             14559
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01272a2.cif
_cod_data_source_block           ah76a1b
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7043198
_shelx_res_checksum              80417