Syntheses of Mixed-Ligand Tetranuclear Gold(I)-Nitrogen Clusters by Ligand Exchange Reactions with the Dinuclear Gold(I) Formamidinate Complex Au2(2,6-Me2Ph-form)2
Hanan E. Abdou; Ahmed A. Mohamed; John P. Fackler; Inorganic Chemistry 46 (2007) 141–146; doi:10.1021/ic0612449

data_4306935
_publ_section_title
;
Syntheses of Mixed-Ligand Tetranuclear Gold(I)-Nitrogen Clusters by
Ligand Exchange Reactions with the Dinuclear Gold(I) Formamidinate Complex
Au2(2,6-Me2Ph-form)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              141
_journal_page_last               146
_journal_paper_doi               10.1021/ic0612449
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C60H60Au4N8, 0.5(C34H38Au2N4),C4H8O,C4H8O'
_chemical_formula_sum            'C85 H95 Au5 N10 O2'
_chemical_formula_weight         2273.53
_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                82.564(17)
_cell_angle_beta                 85.443(18)
_cell_angle_gamma                82.614(19)
_cell_formula_units_Z            2
_cell_length_a                   10.794(11)
_cell_length_b                   14.392(15)
_cell_length_c                   25.75(3)
_cell_measurement_temperature    110(2)
_cell_volume                     3926(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.1593
_diffrn_reflns_av_sigmaI/netI    0.2281
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            44789
_diffrn_reflns_theta_full        27.71
_diffrn_reflns_theta_max         27.71
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    9.363
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2168.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.448
_refine_diff_density_min         -4.408
_refine_diff_density_rms         0.350
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     931
_refine_ls_number_reflns         17657
_refine_ls_number_restraints     570
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.1780
_refine_ls_R_factor_gt           0.0924
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0570P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1843
_reflns_number_gt                9504
_reflns_number_total             18402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0612449si20060705_055811.cif
_cod_data_source_block           ditetr
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C85 H95 Au5 N10 O2 '
_cod_database_code               4306935