[(1-<i>tert</i>-Butyl-2-phenylvinylamino)(dimethylamino)dimethylsilyl-κ^2^<i>N,N</i>'] (<i>N,N,N</i>',<i>N</i>'-tetramethylenediamine-κ^2^<i>N,N</i>')lithium(I)
He-Ping Shi; Dian-Sheng Liu; Shu-Ping Huang; Acta Crystallographica Section E 59 (2003) m339–m341; doi:10.1107/S1600536803010353

data_2201751
_publ_section_title
;[(1-<i>tert</i>-Butyl-2-phenylvinylamino)(dimethylamino)dimethylsilyl-\k^2^<i>N,N</i>']
 (<i>N,N,N</i>',<i>N</i>'-tetramethylenediamine-\k^2^<i>N,N</i>')lithium(I)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m339
_journal_page_last               m341
_journal_paper_doi               10.1107/S1600536803010353
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Li (C16 H27 N2 Si) (C6 H16 N2)]'
_chemical_formula_moiety         'C22 H43 Li N4 Si'
_chemical_formula_sum            'C22 H43 Li N4 Si'
_chemical_formula_weight         398.63
_chemical_name_systematic
;
[(1-tert-Butyl-2-phenylvinylamino)(dimethylamino)dimethylsilyl-\k^2^N,N']
(N,N,N',N'-tetramethylenediamine-\k^2^N,N')lithium(I)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.674(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.819(3)
_cell_length_b                   9.4142(16)
_cell_length_c                   18.635(3)
_cell_measurement_reflns_used    1711
_cell_measurement_temperature    178(2)
_cell_measurement_theta_max      18.014
_cell_measurement_theta_min      2.428
_cell_volume                     2576.5(8)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      178(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'oil sealed '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.1413
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10666
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        3.82
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.9694
_exptl_absorpt_correction_T_min  0.9595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.248
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.05(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.833
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         8386
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.833
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0584
_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^)+(0.0005P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                4772
_reflns_number_total             8386
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ac6040.cif
_cod_data_source_block           I
_cod_original_cell_volume        2576.4(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2201751
_cod_database_fobs_code          2201751