Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe; Dalton transactions (Cambridge, England : 2003) 43 (2014) 8781–8791; doi:10.1039/c4dt00695j

data_7029887
_publ_section_title
;
 Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8781
_journal_page_last               8791
_journal_paper_doi               10.1039/c4dt00695j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C15 H14 Au Br3 N2'
_chemical_formula_weight         658.98
_chemical_name_systematic
Tribromido-{2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(III)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_cell_measurement_reflns_used    1487
_cell_measurement_temperature    200.(2)
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_cell_measurement_theta_min      2.46
_cell_volume                     1713.9(6)
_computing_cell_refinement       'SAINT Version 7.68A (Bruker, 2009)'
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'ORTEP-3 for Windows version 2.02 (Farrugia, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200.(2)
_diffrn_detector_area_resol_mean 8.3330
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SMART X2S'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_source         'sealed MicroFocus tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0954
_diffrn_reflns_av_sigmaI/netI    0.0931
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -16
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_exptl_absorpt_correction_T_min  0.04
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_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_number_reflns         3021
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_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0116P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 7029880--7029888.cif.'
_cod_database_code               7029887