Palladium-Catalyzed Double-Silylation Reactions of 3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene
Song, Kyu Ho; Jung, Il; Lee, Shim Sung; Park, Ki-Min; Ishikawa, Mitsuo; Kang, Sang Ook; Ko, Jaejung; Organometallics 20 (2001) 5537–; doi:10.1021/om010535g

data_4077402
_publ_section_title
;
 Palladium-Catalyzed Double-Silylation Reactions of
 3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5537
_journal_paper_doi               10.1021/om010535g
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C10 H30 B10 Si2'
_chemical_formula_weight         314.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.629(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5845(9)
_cell_length_b                   16.346(2)
_cell_length_c                   16.3645(16)
_cell_measurement_temperature    295(2)
_cell_volume                     2028.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0944
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3794
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.162
_exptl_crystal_density_diffrn    1.030
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             672
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.165
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       0.0017(17)
_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   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         3516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.2212
_refine_ls_R_factor_gt           0.0836
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1084P)^2^+0.5071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1947
_refine_ls_wR_factor_ref         0.2684
_reflns_number_gt                1248
_reflns_number_total             3516
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010535g.cif
_cod_data_source_block
3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene_(2)
_cod_original_cell_volume        2028.6(4)
_cod_database_code               4077402