Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds
Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao; Organometallics 35 (2016) 1257–; doi:10.1021/acs.organomet.6b00133

data_4088505
_publ_section_title
;
 Cationic Iridium and Rhodium Complexes with C--N Chelating Primary
 Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of
 Unsaturated Carbon--Nitrogen Bonds
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              1257
_journal_paper_doi               10.1021/acs.organomet.6b00133
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C21 H30 F6 N2 Rh Sb'
_chemical_formula_sum            'C21 H30 F6 N2 Rh Sb'
_chemical_formula_weight         649.13
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.292(6)
_cell_angle_beta                 93.694(8)
_cell_angle_gamma                106.951(6)
_cell_formula_units_Z            2
_cell_length_a                   8.502(5)
_cell_length_b                   11.007(6)
_cell_length_c                   13.633(7)
_cell_measurement_reflns_used    4078
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     1206.8(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9639
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.856
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.020
_refine_diff_density_min         -1.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.1480\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                4436
_reflns_number_total             5312
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om6b00133_si_002.cif
_cod_data_source_block           2a
_cod_original_cell_volume        1206.7(11)
_cod_database_code               4088505