Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst
Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke; Journal of the American Chemical Society 133 (2011) 12311–12316; doi:10.1021/ja205369h

data_4106537
_publ_section_title
;
 Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide
 and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12311
_journal_page_last               12316
_journal_paper_doi               10.1021/ja205369h
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C32 H56 N3 P Si3'
_chemical_formula_sum            'C32 H56 N3 P Si3'
_chemical_formula_weight         598.04
_chemical_name_systematic
; 
 ? 
;
_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                90.72(2)
_cell_angle_beta                 108.43(3)
_cell_angle_gamma                91.82(2)
_cell_formula_units_Z            4
_cell_length_a                   12.866(2)
_cell_length_b                   16.639(2)
_cell_length_c                   17.090(3)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      22.795
_cell_measurement_theta_min      2.224
_cell_volume                     3468.2(11)
_computing_cell_refinement       'SAINT V7.68A'
_computing_data_collection       'APEX2 v2008.11'
_computing_data_reduction        'SAINT V7.46A'
_computing_molecular_graphics    'XSHELL in SHELXTL-97'
_computing_publication_material  'XSHELL in SHELXTL-97'
_computing_structure_refinement  'SHELXL in SHELXTL Version 2008/3'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/3'
_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II with D8'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'INCOATEC I\mS microfocus source'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            119976
_diffrn_reflns_theta_full        22.75
_diffrn_reflns_theta_max         22.75
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/2'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.978
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         19013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+1.5653P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                15839
_reflns_number_total             19013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja205369h_si_003.cif
_cod_data_source_block           3
_cod_database_code               4106537