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_7043194
_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(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C34 H34 Au F18 N10 P3'
_chemical_formula_weight         1214.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-12-09T08:20:44-00:00
_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                95.6460(10)
_cell_angle_beta                 96.1970(10)
_cell_angle_gamma                94.6830(10)
_cell_formula_units_Z            3
_cell_length_a                   9.50080(10)
_cell_length_b                   15.6009(2)
_cell_length_c                   21.6100(3)
_cell_measurement_reflns_used    30556
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.052
_cell_measurement_theta_min      1.702
_cell_volume                     3155.08(7)
_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    'SIR92 (Altomare et al., 1994)'
_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 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0410364
_diffrn_orient_matrix_UB_12      -0.032497
_diffrn_orient_matrix_UB_13      -0.0118693
_diffrn_orient_matrix_UB_21      0.0475632
_diffrn_orient_matrix_UB_22      0.0070774
_diffrn_orient_matrix_UB_23      0.0280386
_diffrn_orient_matrix_UB_31      -0.0417441
_diffrn_orient_matrix_UB_32      -0.0316145
_diffrn_orient_matrix_UB_33      0.0132628
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            71746
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         30.066
_diffrn_reflns_theta_min         1.708
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.734
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.74073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
     CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_description       block
_exptl_crystal_F_000             1782
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.247
_exptl_crystal_size_min          0.191
_refine_diff_density_max         2.804
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     971
_refine_ls_number_reflns         18510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+0.9552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0552
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                16459
_reflns_number_total             18510
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01272a2.cif
_cod_data_source_block           ah154
_cod_database_code               7043194
_shelx_res_checksum              74587