Aurolysis of alpha-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+.
Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Frenking, Gernot; Timoshkin, Alexey Y.; Esterhuysen, Catharine; Horvath, Ulrike E. I.; Dalton transactions (Cambridge, England : 2003)  (2006) 4580–4589; doi:10.1039/b607613k

data_7007598
_publ_section_title
;
 Aurolysis of alpha-C-deprotonated group 6 aminocarbene and thiocarbene
 complexes with Ph3PAu+.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4580
_journal_page_last               4589
_journal_paper_doi               10.1039/b607613k
_journal_year                    2006
_chemical_formula_moiety
'1.4827(C29 H20 Au Cr O5 P S). 0.5173(C31 H22 Au Cr O5 P S)'
_chemical_formula_sum            'C59.04 H41.04 Au2 Cr2 O10 P2 S2'
_chemical_formula_weight         1534.43
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.4370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.4049(2)
_cell_length_b                   20.7908(3)
_cell_length_c                   23.8896(3)
_cell_measurement_reflns_used    15273
_cell_measurement_temperature    177(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      0.21
_cell_volume                     6159.38(15)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999) '
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'ORTEP FOR WINDOWS (Faruggia, 1997)'
_computing_publication_material  'XSeed (Barbour, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS (Sheldrick, 1997)'
_diffrn_ambient_temperature      177(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33837
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    5.265
_exptl_absorpt_correction_T_max  0.3528
_exptl_absorpt_correction_T_min  0.2601
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Otwinowski and Minor (1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2973
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.521
_refine_diff_density_min         -1.287
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       0.00017(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         12099
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0106P)^2^+44.7817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                10327
_reflns_number_total             12099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607613k.txt
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7007598