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_7007599
_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         'C29 H20 Au Cr O5 P S'
_chemical_formula_sum            'C29 H20 Au Cr O5 P S'
_chemical_formula_weight         760.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.165(2)
_cell_angle_beta                 76.637(2)
_cell_angle_gamma                76.024(2)
_cell_formula_units_Z            4
_cell_length_a                   11.3464(11)
_cell_length_b                   12.2837(12)
_cell_length_c                   20.705(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2724.5(5)
_computing_cell_refinement       'SAINT (Bruker-Nonius)'
_computing_data_collection       'SMART (Bruker-Nonius)'
_computing_data_reduction        'SAINT (Bruker-Nonius)'
_computing_molecular_graphics    'XSeed (Barbour, 1999)'
_computing_publication_material  'XSeed (Barbour, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART Apex Diffractometer'
_diffrn_measurement_method       '\w scans'
_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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20464
_diffrn_reflns_theta_full        25.74
_diffrn_reflns_theta_max         25.74
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    5.951
_exptl_absorpt_correction_T_max  0.382
_exptl_absorpt_correction_T_min  0.268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prisms'
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         10239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+5.0036P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                8655
_reflns_number_total             10239
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607613k.txt
_cod_data_source_block           7'
_cod_depositor_comments
;

2017-12-20
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C58 H40 Au2 Cr2 O10 P2 S2'
_cod_original_formula_weight         1520.89
_cod_original_formula_moiety         '2(C29 H20 Au Cr O5 P S)'
_cod_original_cell_volume        2724.4(5)
_cod_database_code               7007599