Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study
Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov; Journal of the American Chemical Society 122 (2000) 5189–5200; doi:10.1021/ja994342k

data_4116018
_publ_contact_author
;
        Alexander D. Ryabov
        Department of Chemistry
        Moscow State University
        Leninskie Gory
        119899 Moscow
        Russia
;
_publ_contact_author_email       ryabov@enz.chem.msu.ru
_publ_contact_author_fax         '7 095 939-5417'
_publ_contact_author_phone       '7 095 939-3430'
_publ_section_title
;
 Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide
 Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes.
 Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density
 Functional Study
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5189
_journal_page_last               5200
_journal_paper_doi               10.1021/ja994342k
_journal_volume                  122
_journal_year                    2000
_chemical_formula_moiety         '[Pt Cl3 (C6H4C(CH3)NOH) (S(CH3)2] '
_chemical_formula_sum            'C10 H14 Cl3 N O Pt S'
_chemical_formula_weight         497.726
_chemical_name_common
;
fac-trichloro{1C,N-(1'-ethanone, 1'-phenylato, oxime)}
(S-methylthiomethane)platinum(IV)
;
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'manual editing of form.cif'
_cell_angle_alpha                93.870(10)
_cell_angle_beta                 98.780(10)
_cell_angle_gamma                105.750(10)
_cell_formula_units_Z            2
_cell_length_a                   7.1808(7)
_cell_length_b                   8.3170(10)
_cell_length_c                   12.725(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      17
_cell_volume                     718.11(17)
_computing_cell_refinement       'CAD4 (Enraf-Nonius)'
_computing_data_collection       'CAD4 (Enraf-Nonius)'
_computing_data_reduction        CAD4-SDP
_computing_molecular_graphics    ORTEP3
_computing_publication_material  CAD4-SDP
_computing_structure_refinement  CAD4-SDP
_computing_structure_solution    CAD4-SDP
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.857
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3842
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    10.554
_exptl_absorpt_correction_T_max  1.2241
_exptl_absorpt_correction_T_min  0.6956
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.301
_exptl_crystal_description       bar
_exptl_crystal_F_000             497.74
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.70
_refine_diff_density_min         -2.16
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         3733
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0355
_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          0.0389
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                3733
_reflns_number_total             3842
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ja994342k.cif
_cod_data_source_block           xl
_cod_original_cell_volume        718.11(16)
_cod_database_code               4116018