Syntheses of Ketonated Disulfide-Bridged Diruthenium Complexes via C-H Bond Activation and C-S Bond Formation
Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin; Kazuko Matsumoto; Inorganic Chemistry 39 (2000) 3948–3956; doi:10.1021/ic0000855

data_4321296
_publ_section_title
;
 Syntheses of Ketonated Disulfide-Bridged Diruthenium Complexes via C-H
 Bond Activation and C-S Bond Formation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3948
_journal_page_last               3956
_journal_paper_doi               10.1021/ic0000855
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C28 H63 F18 N5 O13 P7 S2 Ru2 '
_chemical_formula_sum            'C28 H63 F18 N5 O13 P7 Ru2 S2'
_chemical_formula_weight         1502.88
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                119.15(2)
_cell_angle_beta                 92.61(1)
_cell_angle_gamma                88.54(2)
_cell_formula_units_Z            2
_cell_length_a                   23.000(5)
_cell_length_b                   12.535(4)
_cell_length_c                   12.341(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     3104.1(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.8157
_diffrn_measured_fraction_theta_max 0.8157
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11630
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        7.50
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.877
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     745
_refine_ls_number_reflns         6042
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          2.3343
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00040|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                6042
_reflns_number_total             11630
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0000855_1.cif
_cod_data_source_block           C28H63F18N5O13P7S2Ru2
_cod_original_cell_volume        3103(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C28 H63 F18 N5 O13 P7 S2 Ru2 '
_cod_database_code               4321296