C-S Bond Cleavage by Chloride in a Thioether N2S2 Complex of Platinum
Lyall R. Hanton; Kitty Lee; Inorganic Chemistry 38 (1999) 1634–1637; doi:10.1021/ic980781t

data_4321862
_publ_section_title
;
 C-S Bond Cleavage by Chloride in a Thioether N2S2 Complex of Platinum
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1634
_journal_page_last               1637
_journal_paper_doi               10.1021/ic980781t
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C33 H38 Cl F12 N5 O P2 Pt2 S3'
_chemical_formula_weight         1332.43
_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                96.2090(10)
_cell_angle_beta                 110.6240(10)
_cell_angle_gamma                90.3820(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3838(2)
_cell_length_b                   12.6850(3)
_cell_length_c                   15.7144(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      1.39
_cell_volume                     2108.88(8)
_computing_cell_refinement       'SAINT (Siemens 1995)'
_computing_data_collection       'SMART (Siemens 1995)'
_computing_data_reduction        'SAINT (Siemens 1995)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      148(2)
_diffrn_measured_fraction_theta_full 0.776
_diffrn_measured_fraction_theta_max 0.776
_diffrn_measurement_device_type  'Siemans SMART CCD'
_diffrn_measurement_method       'Exposures over 0.3\% \f or \w rotation'
_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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13725
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    7.003
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.669
_refine_diff_density_min         -2.084
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         9997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                8347
_reflns_number_total             9997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic980781t.cif
_cod_data_source_block           IC980781T
_cod_original_cell_volume        2108.88(7)
_cod_database_code               4321862