Synthesis and characterization of new trimetallic complexes with {Pt2Au(mu-S)2}n+ (n = 2, 3) cores containing C, N and N, N donor ligands
Bradley C. White; William Henderson; T.S. Andy Hor; Brian K. Nicholson; Inorganica Chimica Acta 393 (2012) 146–151; doi:

data_1512710
_publ_section_title
;
 Synthesis and characterization of new trimetallic complexes with
 {Pt2Au(mu-S)2}n+ (n = 2, 3) cores containing C, N and N, N donor ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              146
_journal_page_last               151
_journal_volume                  393
_journal_year                    2012
_chemical_formula_moiety
'C78 H66 Au N2 O P4 Pt2 S2, 1.5(C6 H6), 2.5(C2 H4 Cl2), 2(F6 P)'
_chemical_formula_sum            'C92 H85 Au Cl5 F12 N2 O P6 Pt2 S2'
_chemical_formula_weight         2476.96
_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
_cell_angle_alpha                89.700(1)
_cell_angle_beta                 77.457(1)
_cell_angle_gamma                68.789(1)
_cell_formula_units_Z            2
_cell_length_a                   12.8770(2)
_cell_length_b                   16.4935(3)
_cell_length_c                   23.6068(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     4547.72(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.1666
_diffrn_reflns_av_sigmaI/netI    0.2695
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42393
_diffrn_reflns_theta_full        26.52
_diffrn_reflns_theta_max         26.52
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    5.049
_exptl_absorpt_correction_T_max  0.601
_exptl_absorpt_correction_T_min  0.294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2418
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.382
_refine_diff_density_min         -5.497
_refine_diff_density_rms         0.424
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         18243
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.2163
_refine_ls_R_factor_gt           0.1052
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1081P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2376
_refine_ls_wR_factor_ref         0.2825
_reflns_number_gt                8057
_reflns_number_total             18243
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-146-151.cif
_cod_data_source_block           bwa1
_cod_original_cell_volume        4547.69(12)
_cod_database_code               1512710