First Transition-Metal Complex Catalyzed Addition of Organic Disulfides to Alkenes Enables the Rapid Synthesis of vicinal-Dithioethers
Teruyuki Kondo; Shin-ya Uenoyama; Ken-ichi Fujita; Take-aki Mitsudo; Journal of the American Chemical Society 121 (1999) 482–483; doi:10.1021/ja983497+

data_4116288
_publ_contact_author_address
;
Department of Energy & Hydrocarbon Chemistry, Graduate School of 
Engineering, Kyoto University, Sakyo-ku, kyoto 606-8501, Japan
;
_publ_contact_author_email       mitsudo@scl.kyoto-u.ac.jp
_publ_contact_author_fax         +81-75-753-4976
_publ_contact_author_name        'Take-aki Mitsudo'
_publ_contact_author_phone       +81-75-753-5685
_publ_section_title
;
 First Transition-Metal Complex Catalyzed Addition of Organic Disulfides
 to Alkenes Enables the Rapid Synthesis of vicinal-Dithioethers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              482
_journal_page_last               483
_journal_paper_doi               10.1021/ja983497+
_journal_volume                  121
_journal_year                    1999
_chemical_compound_source        'prepared by T. Mitsudo et al.'
_chemical_formula_analytical     'C32 H40 Cl2 S2 Ru2'
_chemical_formula_moiety         'C32 H40 Cl2 S2 Ru2'
_chemical_formula_structural     'C32 H40 Cl2 S2 Ru2'
_chemical_formula_sum            'C32 H40 Cl2 Ru2 S2'
_chemical_formula_weight         761.83
_chemical_name_common            '[Cp*RuCl(SPh)]2'
_chemical_temperature_decomposition 575
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Oct  8 19:17:55 1998'
_audit_creation_method           'from TEXRAY.INF file'
_audit_update_record             'Fri Oct  9 1998'
_cell_angle_alpha                90
_cell_angle_beta                 92.13(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.873(4)
_cell_length_b                   9.556(4)
_cell_length_c                   14.089(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.6
_cell_volume                     1597.4(9)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_molecular_graphics    'ORTEP (Johnson C. K., 1976)'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.03704
_diffrn_orient_matrix_UB_12      -0.06678
_diffrn_orient_matrix_UB_13      0.04603
_diffrn_orient_matrix_UB_21      0.07072
_diffrn_orient_matrix_UB_22      0.00423
_diffrn_orient_matrix_UB_23      -0.03630
_diffrn_orient_matrix_UB_31      0.02703
_diffrn_orient_matrix_UB_32      0.08046
_diffrn_orient_matrix_UB_33      0.04011
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.086
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3840
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.58
_diffrn_standards_decay_%        1.04
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.264
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             772.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.91
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.0490
_refine_ls_shift/su_mean         0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0459
_reflns_number_gt                2278
_reflns_number_total             3667
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja9834972B.cif
_cod_data_source_block           C32H40Cl2S2Ru2
_cod_depositor_comments
;
Renaming '_atom_site_refinement_flags' tag to '_atom_site_calc_attached_atom' 
tag to fit the tag values.

Antanas Vaitkus,
2015-03-29
;
_cod_original_cell_volume        1597.3(8)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               4116288