Tetrakis(trimethylsilyl)tetrahedrane+
Günther Maier; Jörg Neudert; Oliver Wolf; Dirk Pappusch; Akira Sekiguchi; Masanobu Tanaka; Tsukasa Matsuo; Journal of the American Chemical Society 124 (2002) 13819–13826; doi:10.1021/ja020863n

data_4115301
_publ_section_title
;
 Tetrakis(trimethylsilyl)tetrahedrane+
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13819
_journal_page_last               13826
_journal_paper_doi               10.1021/ja020863n
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C16 H36 Si4 '
_chemical_formula_sum            'C16 H36 Si4'
_chemical_formula_weight         340.80
_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                89.960(7)
_cell_angle_beta                 89.964(7)
_cell_angle_gamma                89.928(7)
_cell_formula_units_Z            6
_cell_length_a                   9.7923(8)
_cell_length_b                   14.5753(11)
_cell_length_c                   25.180(2)
_cell_measurement_reflns_used    10226
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.6
_cell_volume                     3593.8(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9511
_diffrn_measured_fraction_theta_max 0.9511
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28030
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.241
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.945
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.33
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     649
_refine_ls_number_reflns         15686
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.003Fo^2^ + 1.000\s^2^(Fo)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1880
_reflns_number_gt                10661
_reflns_number_total             15682
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja020863n_s1.cif
_cod_data_source_block           '__(Me3Si)4C4'
_cod_original_cell_volume        3593.8(4)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C16 H36 Si4 '
_cod_database_code               4115301