Synthesis and Reactivity of Bridging and Terminal Hydrosulfido Palladium and Platinum Complexes. Crystal Structures of [NBu4]2[{Pt(C6F5)2(μ-SH)}2], [Pt(C6F5)2(PPh3){S(H)AgPPh3}], and [Pt(C6F5)2(PPh3){S(AuPPh3)2}]
José Ruiz; Venancio Rodríguez; Consuelo Vicente; José M. Martí; Gregorio López; José Pérez; Inorganic Chemistry 40 (2001) 5354–5360; doi:10.1021/ic0013633

data_4320345
_publ_section_title
;
 Synthesis and Reactivity of Bridging and Terminal Hydrosulfido Palladium
 and Platinum Complexes. Crystal Structures of
 [NBu4]2[{Pt(C6F5)2(\m-SH)}2], [Pt(C6F5)2(PPh3){S(H)AgPPh3}], and
 [Pt(C6F5)2(PPh3){S(AuPPh3)2}]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5354
_journal_page_last               5360
_journal_paper_doi               10.1021/ic0013633
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C66.25 H45.5 Au2 Cl0.5 F10 P3 Pt S'
_chemical_formula_weight         1763.24
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 104.7030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   62.6035(9)
_cell_length_b                   13.0329(2)
_cell_length_c                   32.0828(5)
_cell_measurement_temperature    293(2)
_cell_volume                     25319.4(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.998
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0804
_diffrn_reflns_limit_h_max       74
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            22862
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         0.67
_exptl_absorpt_coefficient_mu    7.027
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             13416
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.429
_refine_diff_density_min         -1.512
_refine_diff_density_rms         0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1524
_refine_ls_number_reflns         22862
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1079
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0756P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1594
_reflns_number_gt                15334
_reflns_number_total             22862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0013633_3.cif
_cod_data_source_block           complex12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        25319.3(7)
_cod_original_formula_sum        'C66.25 H45.50 Au2 Cl0.50 F10 P3 Pt S'
_cod_database_code               4320345