Stable Silaimines with Three- and Four-Coordinate Silicon Atoms
Prinson P. Samuel; Ramachandran Azhakar; Rajendra S. Ghadwal; Sakya S. Sen; Herbert W. Roesky; Markus Granitzka; Julia Matussek; Regine Herbst-Irmer; Dietmar Stalke; Inorganic Chemistry 51 (2012) 11049–11054; doi:10.1021/ic301543y

data_4330706
_publ_section_title
;
 Stable Silaimines with Three- and Four-Coordinate Silicon Atoms
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11049
_journal_page_last               11054
_journal_paper_doi               10.1021/ic301543y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'C24 H50 N4 Si4, 0.33 (C7 H8), 0.33(C7 H8), 0.33 (C7 H8)'
_chemical_formula_sum            'C31 H58 N4 Si4'
_chemical_formula_weight         599.17
_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                87.86(2)
_cell_angle_beta                 82.51(2)
_cell_angle_gamma                82.79(2)
_cell_formula_units_Z            6
_cell_length_a                   13.270(3)
_cell_length_b                   16.302(2)
_cell_length_c                   25.857(2)
_cell_measurement_reflns_used    9067
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.0245
_cell_measurement_theta_min      2.3635
_cell_volume                     5500.8(15)
_computing_cell_refinement       'SAINT V7.68A'
_computing_data_collection       'APEX2 v2011.2'
_computing_data_reduction        'SAINT V7.68A'
_computing_molecular_graphics    'shelXle v0.477'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_source         'INCOATEC Mo Microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            109850
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/2
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.401
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1177
_refine_ls_number_reflns         21610
_refine_ls_number_restraints     415
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+1.8338P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0995
_reflns_number_gt                17527
_reflns_number_total             21612
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301543y_si_001_4.cif
_cod_data_source_block           9
_cod_database_code               4330706