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_4067012
_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         'C50.50 H63 B Cl3 N Ru2 S '
_chemical_formula_sum            'C50.5 H63 B Cl3 N Ru2 S'
_chemical_formula_weight         1035.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.981(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   21.752(9)
_cell_length_b                   14.934(6)
_cell_length_c                   29.315(12)
_cell_measurement_reflns_used    26768
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     9348(7)
_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      193.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.997
_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  0.098
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            73110
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4264.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.00
_refine_diff_density_min         -1.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1191
_refine_ls_number_reflns         21374
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.5500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                10388
_reflns_number_total             21374
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100773a_si_002.cif
_cod_data_source_block           '__[2aCl]B(C6H5)4_0.5CH2Cl2'
_cod_original_formula_sum        'C50.50 H63 B Cl3 N Ru2 S '
_cod_database_code               4067012