Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core
Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto; Inorganic Chemistry 40 (2001) 5547–5552; doi:10.1021/ic010422p

data_4320399
_publ_section_title
;
 Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in
 the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5547
_journal_page_last               5552
_journal_paper_doi               10.1021/ic010422p
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C34 H65 F9 N6 O21 P4 Ru2 S5'
_chemical_formula_weight         1551.24
_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                79.478(2)
_cell_angle_beta                 75.505(2)
_cell_angle_gamma                62.339(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1799(15)
_cell_length_b                   12.7237(16)
_cell_length_c                   23.504(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3114.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.1122
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            20036
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         0.90
_exptl_absorpt_coefficient_mu    0.853
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.100
_refine_diff_density_min         -1.953
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     756
_refine_ls_number_reflns         13833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.343
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[?s^2^(Fo^2^)+(0.1299P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1900
_refine_ls_wR_factor_ref         0.2178
_reflns_number_gt                8438
_reflns_number_total             13833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010422p_5.cif
_cod_data_source_block           C34H65F9N6O21P4Ru2S5
_cod_database_code               4320399