Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System
Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao; Organometallics 29 (2010) 4584–; doi:10.1021/om100773a

data_4067013
_publ_section_title
;
 Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear
 Ru(hmb) Complexes (hmb = \h6-hexamethylbenzene): Mechanistic
 Consideration on Transfer Hydrogenation with Bifunctional
 [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4584
_journal_paper_doi               10.1021/om100773a
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C30 H46 Cl2 F3 N O3 Ru2 S2 '
_chemical_formula_sum            'C30 H46 Cl2 F3 N O3 Ru2 S2'
_chemical_formula_weight         862.86
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                94.197(13)
_cell_angle_beta                 109.132(13)
_cell_angle_gamma                101.572(15)
_cell_formula_units_Z            2
_cell_length_a                   9.836(3)
_cell_length_b                   12.541(4)
_cell_length_c                   14.576(4)
_cell_measurement_reflns_used    5726
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.9
_cell_volume                     1645.3(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      93.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.903
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11815
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.258
_exptl_absorpt_correction_T_max  0.778
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         5.65
_refine_diff_density_min         -2.32
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  2482 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.01(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     710
_refine_ls_number_reflns         9314
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0025Fo^2^ + 3.5000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                9114
_reflns_number_total             9314
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100773a_si_002.cif
_cod_data_source_block           '__[2bCl]OTf'
_cod_original_formula_sum        'C30 H46 Cl2 F3 N O3 Ru2 S2 '
_cod_database_code               4067013