An Alternate Route to Disulfanido Complexes by Nucleophilic Attack of Thiolates on Ruthenium-Bound Thiosulfonato Ligands
Erwan Galardon; Patrick Deschamps; Alain Tomas; Pascal Roussel; Isabelle Artaud; Inorganic Chemistry 49 (2010) 9119–9121; doi:10.1021/ic101795s

data_4316881
_publ_contact_author_address
;
Laboratoire de Chimie et Biochimie Pharmacologique et Toxicologique, 
UMR 8601 CNRS, Universit\'e Paris Descartes, 45 rue des Saints P\`eres, 
75270 Paris cedex 06, France.
;
_publ_contact_author_email       erwan.galardon@parisdescartes.fr
_publ_contact_author_fax         0033142864050
_publ_contact_author_name        'Dr Erwan Galardon'
_publ_contact_author_phone       0033142862193
_publ_section_title
;
 An Alternate Route to Disulfanido Complexes by Nucleophilic Attack of
 Thiolates on Ruthenium-Bound Thiosulfonato Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9119
_journal_page_last               9121
_journal_paper_doi               10.1021/ic101795s
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C51 H49 B N2 Ru S2'
_chemical_formula_weight         865.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.959(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8355(5)
_cell_length_b                   15.2208(6)
_cell_length_c                   21.6503(10)
_cell_measurement_reflns_used    9256
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31
_cell_measurement_theta_min      2
_cell_volume                     4213.9(3)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_method       '\f & \w scans'
_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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            133993
_diffrn_reflns_theta_full        30.10
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.731
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         12954
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.213
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0447P)^2^+1.7144P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                11406
_reflns_number_total             12954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101795s_si_003_1.cif
_cod_data_source_block           2c
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4316881