The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon Bond
Takeaki Iwamoto; Dongzhu Yin; Chizuko Kabuto; Mitsuo Kira; Journal of the American Chemical Society 123 (2001) 12730–12731; doi:10.1021/ja011658v

data_4115851
_publ_section_title
;
 The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon
 Bond
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12730
_journal_page_last               12731
_journal_paper_doi               10.1021/ja011658v
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C32 H58 Si4 '
_chemical_formula_sum            'C32 H58 Si4'
_chemical_formula_weight         555.15
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.484(1)
_cell_length_b                   14.019(2)
_cell_length_c                   11.0229(9)
_cell_measurement_reflns_used    7667
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.4
_cell_volume                     3319.9(6)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku/MSC Mercury  CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            21405
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.28
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2839
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                2839
_reflns_number_total             3882
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja011658v.cif
_cod_data_source_block           1_3-disilabicyclo[1.1.0]bu
_cod_original_cell_volume        3319.9(8)
_cod_original_formula_sum        'C32 H58 Si4 '
_cod_database_code               4115851