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_4320395
_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            'C43 H64 F12 N6 O25 P4 Ru2 S6'
_chemical_formula_weight         1811.38
_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                 103.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.267(5)
_cell_length_b                   21.456(5)
_cell_length_c                   25.962(6)
_cell_measurement_temperature    293(2)
_cell_volume                     7173(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  r
_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  0.0651
_diffrn_reflns_av_sigmaI/netI    0.1241
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            13201
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    0.792
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3664
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         2.353
_refine_diff_density_min         -1.596
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     702
_refine_ls_number_reflns         12610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.2486
_refine_ls_R_factor_gt           0.1293
_refine_ls_shift/su_max          1.961
_refine_ls_shift/su_mean         0.042
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[?s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3267
_refine_ls_wR_factor_ref         0.3925
_reflns_number_gt                5819
_reflns_number_total             12610
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010422p_1.cif
_cod_data_source_block           C43H64F12N6O25P4Ru2S6
_cod_database_code               4320395