Insertion Reactions of (PPh3)2Pt(SR)2 with CS2, where R = H, CMe3, CHMe2, 4-C6H4Me; Structure of (PPh3)Pt(SC6H4Me)(S2CS-4-C6H4Me)
Alan Shaver; Mohammad El-Khateeb; Anne-Marie Lebuis; Inorganic Chemistry 40 (2001) 5288–5289; doi:10.1021/ic000825+

data_4327556
_publ_section_title
;
 Insertion Reactions of (PPh3)2Pt(SR)2 with CS2, where R = H, CMe3, CHMe2,
 4-C6H4Me; Structure of (PPh3)Pt(SC6H4Me)(S2CS-4-C6H4Me)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5288
_journal_page_last               5289
_journal_paper_doi               10.1021/ic000825+
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source        'synthesized by the authors, see text'
_chemical_formula_moiety         'C33 H29 P Pt S4'
_chemical_formula_sum            'C33 H29 P Pt S4'
_chemical_formula_weight         779.86
_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           'SHELXL96 (Sheldrick, 1996)'
_cell_angle_alpha                93.14(2)
_cell_angle_beta                 92.54(2)
_cell_angle_gamma                114.140(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2050(10)
_cell_length_b                   11.206(2)
_cell_length_c                   15.235(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      27.5
_cell_volume                     1583.2(4)
_computing_molecular_graphics
'ORTEPII (Johnson (1976) in NRCVAX (Gabe et al (1989))'
_computing_publication_material
'NRCVAX (Gabe et al (1989) and SHELXL96 (Sheldrick (1996))'
_computing_structure_solution    'SHELXS96 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       'omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.0127
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9408
_diffrn_reflns_theta_max         60.20
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        0.80
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.388
_exptl_absorpt_correction_T_max  0.137165
_exptl_absorpt_correction_T_min  0.022965
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    none
_exptl_crystal_description       'thick plate'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.852
_refine_diff_density_min         -1.611
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       0.00197(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL96 (Sheldrick, 1996)'
_refine_ls_goodness_of_fit_all   1.063
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         4731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_restrained_S_obs      1.061
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0683P)^2^+5.1067P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1101
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                4527
_reflns_number_total             4731
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic0008252B.cif
_cod_data_source_block           shav22
_cod_database_code               4327556