Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates
Ahmed A. Mohamed; Alfredo Burini; John P. Fackler; Journal of the American Chemical Society 127 (2005) 5012–5013; doi:10.1021/ja0429869

data_4111608
_publ_section_title
;
 Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver
 Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I)
 3,5-Diphenylpyrazolates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5012
_journal_page_last               5013
_journal_paper_doi               10.1021/ja0429869
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C71 H72 Ag2 Au4 Cl2 N8 O4'
_chemical_formula_weight         2175.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.644(4)
_cell_length_b                   7.4582(10)
_cell_length_c                   30.473(4)
_cell_measurement_temperature    110(2)
_cell_volume                     6737.3(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1011
_diffrn_reflns_av_sigmaI/netI    0.1384
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            35203
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    9.382
_exptl_absorpt_correction_T_max  0.2555
_exptl_absorpt_correction_T_min  0.2555
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_F_000             4120
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.681
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.312
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         11754
_refine_ls_number_restraints     523
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0978
_refine_ls_R_factor_gt           0.0597
_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^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1332
_reflns_number_gt                8259
_reflns_number_total             11754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0429869si20041120_034433.cif
_cod_data_source_block           ag2au4
_cod_database_code               4111608