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_4320398
_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            'C33 H62 F12 N6 O24 P4 Ru2 S6'
_chemical_formula_weight         1673.27
_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                 92.039(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0626(18)
_cell_length_b                   20.535(3)
_cell_length_c                   26.819(4)
_cell_measurement_temperature    293(2)
_cell_volume                     6639.0(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.1308
_diffrn_reflns_av_sigmaI/netI    0.2014
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            42523
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    0.846
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3384
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.871
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.844
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         15217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.844
_refine_ls_R_factor_all          0.2413
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          4.522
_refine_ls_shift/su_mean         0.219
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[?s^2^(Fo^2^)+(0.1197P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2623
_reflns_number_gt                4395
_reflns_number_total             15217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010422p_4.cif
_cod_data_source_block           C33H62F12N6O24P4Ru2S6
_cod_original_cell_volume        6639.0(18)
_cod_database_code               4320398