Neutral and Cationic Trimethylsilylmethyl Complexes of Indium
Peckermann, Ilja; Robert, Dominique; Englert, Ulli; Spaniol, Thomas P.; Okuda, Jun; Organometallics 27 (2008) 4817–; doi:10.1021/om800562z

data_4072064
_publ_section_title
;
 Neutral and Cationic Trimethylsilylmethyl Complexes of Indium
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4817
_journal_paper_doi               10.1021/om800562z
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C20 H46 In O3 Si2, C24 B F20'
_chemical_formula_sum            'C44 H46 B F20 In O3 Si2'
_chemical_formula_weight         1184.62
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.287(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.692(3)
_cell_length_b                   10.8489(13)
_cell_length_c                   18.007(2)
_cell_measurement_reflns_used    6700
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      21.62
_cell_measurement_theta_min      2.21
_cell_volume                     4863.9(10)
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_collection       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40604
_diffrn_reflns_theta_full        22.76
_diffrn_reflns_theta_max         22.76
_diffrn_reflns_theta_min         0.82
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.8647
_exptl_absorpt_correction_T_min  0.7671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.23
_refine_diff_density_max         2.403
_refine_diff_density_min         -1.618
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         6560
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0180P)^2^+122.2756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2094
_reflns_number_gt                5867
_reflns_number_total             6560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800562z_si_001.cif
_cod_data_source_block           ip2
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4072064