Heterodi- [MAg, MAu (M = Pd, Pt)], Tri- [PdAg2, PtAg2, PtAu2, Pt2M (M = Ni, Pt, Cd, Hg)], and Tetranuclear (Pt2Ag2, Pt2Au2) 1,1-Ethylenedithiolato Complexes
José Vicente; María Teresa Chicote; Sonia Huertas; Peter G. Jones; Axel K. Fischer; Inorganic Chemistry 40 (2001) 6193–6200; doi:10.1021/ic010488k

data_4320576
_publ_section_title
;
 Heterodi- [MAg, MAu (M = Pd, Pt)], Tri- [PdAg2, PtAg2, PtAu2, Pt2M (M =
 Ni, Pt, Cd, Hg)], and Tetranuclear (Pt2Ag2, Pt2Au2)
 1,1-Ethylenedithiolato Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6193
_journal_page_last               6200
_journal_paper_doi               10.1021/ic010488k
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C84 H72 Cl2 Cu O12 P4 Pt2 S4'
_chemical_formula_weight         2050.16
_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                71.672(10)
_cell_angle_beta                 88.366(10)
_cell_angle_gamma                77.556(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2246(10)
_cell_length_b                   13.1026(10)
_cell_length_c                   13.6811(10)
_cell_measurement_reflns_used    6638
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     2029.5(3)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Siemens SMART'
_diffrn_measurement_method       \w-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  0.0915
_diffrn_reflns_av_sigmaI/netI    0.2427
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13495
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    4.006
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.195
_exptl_absorpt_correction_type   'multiple scans (SADABS)'
_exptl_crystal_colour            'greenish yellow'
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1015
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.853
_refine_diff_density_min         -4.829
_refine_diff_density_rms         0.234
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.748
_refine_ls_hydrogen_treatment    'rigid methyls, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         9599
_refine_ls_number_restraints     412
_refine_ls_restrained_S_all      0.734
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1377
_reflns_number_gt                5449
_reflns_number_total             9599
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010488k_3.cif
_cod_data_source_block           husky
_cod_database_code               4320576