Remarkable Positive Effect of Silver Salts on Asymmetric Hydrogenation of Acyclic Imines with Cp*Ir Complexes Bearing Chiral N-Sulfonylated Diamine Ligands
Shirai, Shin-yo; Nara, Hideki; Kayaki, Yoshihito; Ikariya, Takao; Organometallics 28 (2009) 802–; doi:10.1021/om800926p

data_4068546
_publ_section_title
;
 Remarkable Positive Effect of Silver Salts on Asymmetric Hydrogenation of
 Acyclic Imines with Cp*Ir Complexes Bearing Chiral N-Sulfonylated Diamine
 Ligands
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              802
_journal_paper_doi               10.1021/om800926p
_journal_volume                  28
_journal_year                    2009
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C26 H39 Cl2 F6 Ir N3 O2 S Sb '
_chemical_formula_sum            'C26 H39 Cl2 F6 Ir N3 O2 S Sb'
_chemical_formula_weight         956.54
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.2343(18)
_cell_length_b                   13.632(3)
_cell_length_c                   23.778(5)
_cell_measurement_reflns_used    12417
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3317.4(12)
_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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.985
_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  0.078
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            26001
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.118
_exptl_absorpt_correction_T_max  0.599
_exptl_absorpt_correction_T_min  0.335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         9.43
_refine_diff_density_min         -4.07
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3313 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.023(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     419
_refine_ls_number_reflns         25937
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.3260\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1035
_reflns_number_gt                24041
_reflns_number_total             7515
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800926p_si_002.cif
_cod_data_source_block           '__C5Me5IrTscydn+'
_cod_original_cell_volume        3317.5(11)
_cod_original_formula_sum        'C26 H39 Cl2 F6 Ir N3 O2 S Sb '
_cod_database_code               4068546