Dibromoindium(III) cations as a pi-Lewis acid: characterization of [IPr^.^InBr2][SbF6] and its catalytic activity towards alkynes and alkenes
Bastien Michelet; Jean-Remy Colard-Itte; Guillaume Thiery; Regis Guillot; Christophe Bour; Vincent Gandon; Chem.Commun. 51 (2015) 7401–; doi:10.1039/C5cc00740B

data_7117018
_publ_section_title
;
 Dibromoindium(III) cations as a pi-Lewis acid: characterization of
 [IPr^.^InBr2][SbF6] and its catalytic activity towards alkynes and
 alkenes
;
_journal_name_full               Chem.Commun.
_journal_page_first              7401
_journal_paper_doi               10.1039/C5cc00740B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C27 H36 Br2 F6 In N2 Sb'
_chemical_formula_sum            'C27 H36 Br2 F6 In N2 Sb'
_chemical_formula_weight         898.96
_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
;
2015-01-21 deposited with the CCDC.
2015-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                94.315(2)
_cell_angle_beta                 95.583(2)
_cell_angle_gamma                115.957(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5651(6)
_cell_length_b                   10.5020(6)
_cell_length_c                   18.1036(10)
_cell_measurement_reflns_used    9736
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      33.83
_cell_measurement_theta_min      2.39
_cell_volume                     1613.18(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            95454
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         33.876
_diffrn_reflns_theta_min         2.320
_diffrn_source                   'I\mS microfocus X-ray source'
_diffrn_source_type              'BRUKER VENTURE ICMMO'
_exptl_absorpt_coefficient_mu    4.083
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_description       plate
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.030
_refine_diff_density_max         3.753
_refine_diff_density_min         -3.593
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         12985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0355
_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^)+(0.0263P)^2^+4.1928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0812
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10617
_reflns_number_total             12985
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc00740b2.cif
_cod_data_source_block           v26GuillotICMMO
_cod_database_code               7117018
_shelx_estimated_absorpt_t_min   0.572
_shelx_estimated_absorpt_t_max   0.891
_shelxl_version_number           2013-4
_shelx_hkl_checksum              45337