The diverse reactions of the silylene Si[(NCH2But)2C6H4-1,2] with Li[Si(SiMe3)3](thf)3 and K[N(SiMe3)2]
Gehrhus, Barbara; Hitchcock, Peter B.; Lappert, Michael F.; Slootweg, J. Chris; Chemical Communications  (2000) 1427–; doi:10.1039/b003833o

data_7111010
_publ_section_title
;
 The diverse reactions of the silylene Si[(NCH2But)2C6H4-1,2] with
 Li[Si(SiMe3)3](thf)3 and K[N(SiMe3)2]
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1427
_journal_paper_doi               10.1039/b003833o
_journal_year                    2000
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C22 H44 K N3 Si3'
_chemical_formula_structural     'C22 H44 K N3 Si3'
_chemical_formula_sum            'C22 H44 K N3 Si3'
_chemical_formula_weight         473.97
_chemical_name_common            '[K{Me3SiNSi(SiMe3)(C6H4(NCH2tBu)2)}]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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_conform_dict_location
ftp://ftp.iucr.org/cifdics/cif_core_2.1beta5.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1beta5
_audit_creation_date             2000-01-18T09:38:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.759(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4645(4)
_cell_length_b                   12.7533(3)
_cell_length_c                   16.5858(3)
_cell_measurement_reflns_used    10046
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.878
_cell_measurement_theta_min      4.529
_cell_measurement_wavelength     0.71073
_cell_volume                     2846.72(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20621
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         4.55
_exptl_absorpt_coefficient_mu    0.326
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.32
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         6689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+1.2475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                5363
_reflns_number_total             6689
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003833osup1.cif
_cod_data_source_block           gerhus-3a
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7111010