Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles
Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C.; Catal. Sci. Technol. 5 (2015) 1452–; doi:10.1039/C4CY01233J

data_1518337
_publ_section_title
;
 Efficient hydrosilylation of imines using catalysts based on iridium(iii)
 metallacycles
;
_journal_issue                   3
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              1452
_journal_paper_doi               10.1039/C4CY01233J
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'C32 H12 B F24, C42 H46 Cl Ir2 N2, C H2 Cl2'
_chemical_formula_sum            'C75 H60 B Cl3 F24 Ir2 N2'
_chemical_formula_weight         1946.81
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Hygroscopic'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-10-28 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                114.0030(10)
_cell_angle_beta                 107.6660(10)
_cell_angle_gamma                99.412(2)
_cell_formula_units_Z            4
_cell_length_a                   19.0059(5)
_cell_length_b                   21.9914(5)
_cell_length_c                   22.0920(7)
_cell_measurement_reflns_used    59633
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     7588.0(4)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1428
_diffrn_reflns_av_unetI/netI     0.2134
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            88379
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.504
_diffrn_reflns_theta_min         1.074
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.712
_exptl_absorpt_correction_T_max  0.64126
_exptl_absorpt_correction_T_min  0.43577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_description       block
_exptl_crystal_F_000             3800
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
The residual electron density was assigned to two molecules of 
the dichloromethane solvent [202/2=  101e per asymmetric unit; two
molecules of C1H2CL2 would give 84 e]. 
;
_refine_diff_density_max         6.401
_refine_diff_density_min         -2.867
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1734
_refine_ls_number_reflns         34734
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1925
_refine_ls_R_factor_gt           0.0985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1287P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2244
_refine_ls_wR_factor_ref         0.2624
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17047
_reflns_number_total             34734
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cy01233j2.cif
_cod_data_source_block           jpdmh140725
_cod_depositor_comments          'Adding full bibliography for 1518337.cif.'
_cod_database_code               1518337
_shelxl_version_number           2013-4
_shelx_res_checksum              30447