Catalytic Hydrogenation of Carboxamides and Esters by Well-Defined Cp*Ru Complexes Bearing a Protic Amine Ligand
Masato Ito; Takashi Ootsuka; Ryo Watari; Akira Shiibashi; Akio Himizu; Takao Ikariya; Journal of the American Chemical Society 133 (2011) 4240–4242; doi:10.1021/ja1117254

data_4105846
_publ_contact_author_address
;
    Institute of Materials Chemistry and Engineering
    Kyushu University
    6-1 Kasuga-koen, Kasuga city, Fukuoka 816-8580, Japan
;
_publ_contact_author_email       mito@cm.kyushu-u.ac.jp
_publ_contact_author_fax         81(92)5837810
_publ_contact_author_name        'Masato ITO'
_publ_contact_author_phone       81(92)5837808
_publ_section_title
;
 Catalytic Hydrogenation of Carboxamides and Esters by Well-Defined Cp*Ru
 Complexes Bearing a Protic Amine Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4240
_journal_page_last               4242
_journal_paper_doi               10.1021/ja1117254
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C16 H23 Cl N2 Ru '
_chemical_formula_sum            'C16 H23 Cl N2 Ru'
_chemical_formula_weight         379.89
_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'
_audit_creation_date             2010-01-13
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.694(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.635(11)
_cell_length_b                   14.068(15)
_cell_length_c                   11.104(12)
_cell_measurement_reflns_used    6971
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     1632(3)
_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    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      93.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.990
_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  0.090
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12662
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.116
_exptl_absorpt_correction_T_max  0.715
_exptl_absorpt_correction_T_min  0.353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_description       block
_exptl_crystal_F_000             776.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         4.23
_refine_diff_density_min         -2.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3709
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0012Fo^2^ + 0.7500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2026
_reflns_number_gt                2913
_reflns_number_total             3709
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja1117254_si_001.cif
_cod_data_source_block           '__4d'
_cod_original_cell_volume        1633(3)
_cod_original_formula_sum        'C16 H23 Cl N2 Ru '
_cod_database_code               4105846