Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes That Catalyze Chemoselective Hydrogenation of Imines under Ambient Conditions
Yoshiyuki Misumi; Hidetake Seino; Yasushi Mizobe; Journal of the American Chemical Society 131 (2009) 14636–14637; doi:10.1021/ja905835u

data_4105156
_publ_contact_author_email       ymizobe@iis.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-5452-6361
_publ_contact_author_name        'Yasushi MIZOBE'
_publ_contact_author_phone       +81-3-5452-6360
_publ_section_title
;
 Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes
 That Catalyze Chemoselective Hydrogenation of Imines under Ambient
 Conditions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14636
_journal_page_last               14637
_journal_paper_doi               10.1021/ja905835u
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C31 H47 B N7 O2 Rh S '
_chemical_formula_sum            'C31 H47 B N7 O2 Rh S'
_chemical_formula_weight         695.53
_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             2007-10-01
_audit_creation_method           'by CrystalStructure 3.8.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.5395(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.235(2)
_cell_length_b                   26.588(6)
_cell_length_c                   15.749(4)
_cell_measurement_reflns_used    7441
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     3378.6(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      113.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38987
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            lemonyellow
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1456.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.05
_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     585
_refine_ls_number_reflns         7992
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.2500\s(Fo^2^) + 0.0200]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1145
_reflns_number_gt                5078
_reflns_number_total             7992
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja905835u_si_002.cif
_cod_data_source_block           '__[Tp*RhH(SPh)(MeCN)]-2THF'
_cod_original_cell_volume        3378.5(14)
_cod_original_formula_sum        'C31 H47 B N7 O2 Rh S '
_cod_database_code               4105156