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_4067015
_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         'C47 H55 B N2 O Ru S '
_chemical_formula_sum            'C47 H55 B N2 O Ru S'
_chemical_formula_weight         807.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.608(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   19.257(5)
_cell_length_b                   8.963(2)
_cell_length_c                   24.686(7)
_cell_measurement_reflns_used    10851
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     4141.2(18)
_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 0.984
_diffrn_measured_fraction_theta_max 0.986
_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  0.068
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            31147
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.466
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.32
_refine_diff_density_min         -1.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     535
_refine_ls_number_reflns         9358
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.5300\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1498
_reflns_number_gt                4987
_reflns_number_total             9358
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100773a_si_002.cif
_cod_data_source_block           '__[7a]B(C6H5)4_H2O'
_cod_original_cell_volume        4141.0(19)
_cod_original_formula_sum        'C47 H55 B N2 O Ru S '
_cod_database_code               4067015