Reactivity of the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward Silylcyanide: Two Pathways To Form the Bis-Adduct [RSiSiR(CNSiMe3)2] with Some Silaketenimine Character and a 1,4-Diaza-2,3-disilabenzene Analogue
Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi; Journal of the American Chemical Society 130 (2008) 16848–16849; doi:10.1021/ja807974a

data_4108852
_publ_section_title
;
 Reactivity of the Disilyne RSi\\tbSiR (R = SiiPr[CH(SiMe3)2]2) toward
 Silylcyanide: Two Pathways To Form the Bis-Adduct [RSiSiR(CNSiMe3)2] with
 Some Silaketenimine Character and a 1,4-Diaza-2,3-disilabenzene Analogue
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16848
_journal_page_last               16849
_journal_paper_doi               10.1021/ja807974a
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C36 H92 N2 Si12'
_chemical_formula_weight         890.20
_chemical_name_systematic
; 
 meso-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-
 3,4-dicyano-1,4-diisopropyltetrasilane 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.456(3)
_cell_angle_beta                 95.914(3)
_cell_angle_gamma                110.091(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6270(5)
_cell_length_b                   10.9580(3)
_cell_length_c                   14.6080(8)
_cell_measurement_reflns_used    13853
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.09
_cell_volume                     1362.31(12)
_computing_cell_refinement       'HKL scalepack'
_computing_data_collection       'MacScience Xpress'
_computing_data_reduction        Denzo
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device       'MacScience DIP2030 Image plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13853
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.311
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_description       Plate
_exptl_crystal_F_000             490
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.044(3)
_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   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         6103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0432
_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^)+(0.0716P)^2^+0.7263P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                5339
_reflns_number_total             6103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja807974a_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        1362.31(11)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4108852