Isolation and Characterization of a Nucleophilic Allylic Indium Reagent
Yasuda, Makoto; Haga, Masahiko; Baba, Akio; Organometallics 28 (2009) 1998–; doi:10.1021/om900096r

data_4069240
_publ_section_title
;
 Isolation and Characterization of a Nucleophilic Allylic Indium Reagent
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1998
_journal_paper_doi               10.1021/om900096r
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C34 H41 Br2 Cl3 In N O '
_chemical_formula_sum            'C34 H41 Br2 Cl3 In N O'
_chemical_formula_weight         860.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.644(4)
_cell_angle_beta                 99.148(4)
_cell_angle_gamma                93.897(4)
_cell_formula_units_Z            2
_cell_length_a                   6.2947(10)
_cell_length_b                   14.488(3)
_cell_length_c                   20.349(3)
_cell_measurement_reflns_used    6694
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      3.0
_cell_volume                     1826.5(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.096
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16895
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_exptl_absorpt_coefficient_mu    3.086
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             860.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.83
_refine_diff_density_min         -2.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.608
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     420
_refine_ls_number_reflns         4836
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0100 + Fo + 0.0100Fo^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                4794
_reflns_number_total             10892
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om900096r_si_002.cif
_cod_data_source_block           '_283'
_cod_original_cell_volume        1826.4(5)
_cod_original_formula_sum        'C34 H41 Br2 Cl3 In N O '
_cod_database_code               4069240