Gold(I) Complexes with N-Donor Ligands. 2.1 Reactions of Ammonium Salts with [Au(acac-κC2)(PR3)] To Give [Au(NH3)L]+, [(AuL)2(μ2-NH2)]+, [(AuL)4(μ4-N)]+, or [(AuL)3(μ3-O)]+. A New and Facile Synthesis of [Au(NH3)2]+Salts. Crystal Structure of [{AuP(C6H4OMe-4)3}3(μ3-O)]CF3SO3
José Vicente; María-Teresa Chicote; Rita Guerrero; Peter G. Jones; M. Carmen Ramírez de Arellano; Inorganic Chemistry 36 (1997) 4438–4443; doi:10.1021/ic970225j

data_4323592
_publ_section_title
;
 Gold(I) Complexes with N-Donor Ligands. 2.1 Reactions of Ammonium Salts
 with [Au(acac-\kC2)(PR3)] To Give [Au(NH3)L]+, [(AuL)2(\m2-NH2)]+,
 [(AuL)4(\m4-N)]+, or [(AuL)3(\m3-O)]+. A New and Facile Synthesis of
 [Au(NH3)2]+Salts. Crystal Structure of [{AuP(C6H4OMe-4)3}3(\m3-O)]CF3SO3
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4438
_journal_page_last               4443
_journal_paper_doi               10.1021/ic970225j
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C67 H69 Au3 F3 O14 P3 S'
_chemical_formula_weight         1871.09
_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
_cell_angle_alpha                83.39(3)
_cell_angle_beta                 86.28(3)
_cell_angle_gamma                65.54(3)
_cell_formula_units_Z            2
_cell_length_a                   14.884(3)
_cell_length_b                   15.828(3)
_cell_length_c                   16.061(3)
_cell_measurement_reflns_used    56
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      10
_cell_volume                     3420.6(14)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Stoe STADI-4'
_diffrn_measurement_method       \w-\q-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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12562
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.588
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_type   'Psi scans'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.252
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.043
_refine_ls_goodness_of_fit_obs   1.036
_refine_ls_hydrogen_treatment    'Rigid methyls, others riding'
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_refine_ls_number_parameters     484
_refine_ls_number_reflns         12039
_refine_ls_number_restraints     425
_refine_ls_restrained_S_all      1.062
_refine_ls_restrained_S_obs      1.035
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_obs          0.0370
_refine_ls_shift/esd_max         -0.005
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+22.0646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0869
_refine_ls_wR_factor_obs         0.0788
_reflns_number_observed          10491
_reflns_number_total             12058
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970225j.cif
_cod_data_source_block           meita
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+22.0646P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+22.0646P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3420.7(12)
_cod_database_code               4323592