Gold(I) and Silver(I) Mixed-Metal Trinuclear Complexes: Dimeric Products from the Reaction of Gold(I) Carbeniates or Benzylimidazolates with Silver(I) 3,5-Diphenylpyrazolate†
Mohamed, Ahmed A.; Galassi, Rossana; Papa, Fabrizio; Burini, Alfredo; Fackler, John P.; Inorganic Chemistry 45 (2006) 7770–7776; doi:10.1021/ic060792j

data_4332749
_publ_section_title
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 Gold(I) and Silver(I) Mixed-Metal Trinuclear Complexes:&#x00A0; Dimeric
 Products from the Reaction of Gold(I) Carbeniates or Benzylimidazolates
 with Silver(I) 3,5-Diphenylpyrazolate&#x2020;
;
_journal_issue                   19
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7770
_journal_page_last               7776
_journal_paper_doi               10.1021/ic060792j
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C40 H34 Ag2 Au N5 O'
_chemical_formula_weight         1013.43
_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                82.560(5)
_cell_angle_beta                 87.887(6)
_cell_angle_gamma                78.060(5)
_cell_formula_units_Z            4
_cell_length_a                   9.688(3)
_cell_length_b                   15.542(4)
_cell_length_c                   23.689(6)
_cell_measurement_temperature    110(2)
_cell_volume                     3460.1(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 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.1610
_diffrn_reflns_av_sigmaI/netI    0.3333
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23496
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    5.390
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1958
_refine_diff_density_max         2.706
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.764
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     887
_refine_ls_number_reflns         12014
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      0.764
_refine_ls_R_factor_all          0.2057
_refine_ls_R_factor_gt           0.0721
_refine_ls_shift/su_max          0.393
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1640
_reflns_number_gt                3789
_reflns_number_total             12014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060792jsup3.cif
_cod_data_source_block           au
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3460.4(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332749