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_4332748
_publ_section_title
;
 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            'C80 H62 Ag4 Au2 N12'
_chemical_formula_weight         2016.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.206(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.368(5)
_cell_length_b                   15.672(3)
_cell_length_c                   17.010(3)
_cell_measurement_temperature    110(2)
_cell_volume                     6870(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0854
_diffrn_reflns_av_sigmaI/netI    0.0991
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30451
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    5.428
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             3888.0
_exptl_crystal_size_max          20
_exptl_crystal_size_mid          15
_exptl_crystal_size_min          10
_refine_diff_density_max         2.603
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8412
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc 
 [0.00000+1.00000exp(1.00(sin\q/\l)^2^)]/ 
   [\s^2^(Fo^2^)+0.0000+1.0000*P+(0.0050P)^2^+0.0000sin\q/\l] 
 where P = 0.33333Fo^2^ + 0.66667Fc^2^ 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                5845
_reflns_number_total             8412
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060792jsup2.cif
_cod_data_source_block           Ag4Au2Bz
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      C2/c
_cod_database_code               4332748