#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013879.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2013879
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  m107
_journal_page_last  m109
_publ_section_title
;
[Benzylbis(dimethylamino)methylsilyl-\k^2^C,N](N,N,N',N'-
tetramethylethylenediamine-\k^2^N,N)lithium(I)
;
loop_
_publ_author_name
  'Shi, He-Ping'
  'Liu, Dian-Sheng'
  'Huang, Shu-Ping'
_chemical_formula_moiety  'C18 H37 Li N4 Si'
_chemical_formula_sum  'C18 H37 Li N4 Si'
_chemical_formula_iupac  '[Li (C12 H21 N Si) (C6 H16 N2)]'
_chemical_formula_weight  344.55
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  13.946(4)
_cell_length_b  9.805(2)
_cell_length_c  17.236(4)
_cell_angle_alpha  90
_cell_angle_beta  112.523(3)
_cell_angle_gamma  90
_cell_volume  2177.0(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  183(2)
_exptl_crystal_density_diffrn  1.051
_diffrn_ambient_temperature  183(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Li1 0.2614(3) 0.6968(4) 0.0492(3) 0.0353(10) Uani d . 1 . . Li
  Si1 0.31514(5) 0.48302(7) 0.15322(4) 0.0343(2) Uani d . 1 . . Si
  N1 0.25714(15) 0.47248(19) 0.04152(12) 0.0359(5) Uani d . 1 . . N
  N2 0.14917(15) 0.8301(2) -0.02853(12) 0.0353(5) Uani d . 1 . . N
  N3 0.37011(15) 0.8007(2) 0.01351(13) 0.0442(6) Uani d . 1 . . N
  N4 0.26295(18) 0.3533(2) 0.19169(14) 0.0479(6) Uani d . 1 . . N
  C1 0.29767(18) 0.6509(2) 0.18611(15) 0.0328(6) Uani d . 1 . . C
  H1 0.3647 0.6905 0.2215 0.039 Uiso calc R 1 . . H
  C2 0.21495(18) 0.7184(2) 0.20066(14) 0.0299(6) Uani d . 1 . . C
  C3 0.11364(18) 0.6656(2) 0.17948(15) 0.0354(6) Uani d . 1 . . C
  H3 0.0996 0.5781 0.1571 0.042 Uiso calc R 1 . . H
  C4 0.0350(2) 0.7374(3) 0.19030(16) 0.0411(6) Uani d . 1 . . C
  H4 -0.0303 0.6976 0.1751 0.049 Uiso calc R 1 . . H
  C5 0.0514(2) 0.8678(3) 0.22344(16) 0.0433(7) Uani d . 1 . . C
  H5 -0.0024 0.9172 0.2293 0.052 Uiso calc R 1 . . H
  C6 0.1495(2) 0.9224(2) 0.24749(16) 0.0406(7) Uani d . 1 . . C
  H6 0.1625 1.0092 0.2710 0.049 Uiso calc R 1 . . H
  C7 0.22845(19) 0.8505(2) 0.23719(14) 0.0351(6) Uani d . 1 . . C
  H7 0.2939 0.8903 0.2550 0.042 Uiso calc R 1 . . H
  C8 0.4564(2) 0.4553(3) 0.17822(18) 0.0516(8) Uani d . 1 . . C
  H8A 0.4955 0.4791 0.2358 0.077 Uiso calc R 1 . . H
  H8B 0.4782 0.5114 0.1423 0.077 Uiso calc R 1 . . H
  H8C 0.4683 0.3612 0.1694 0.077 Uiso calc R 1 . . H
  C9 0.2657(3) 0.2134(3) 0.1654(2) 0.0707(10) Uani d . 1 . . C
  H9A 0.3217 0.1659 0.2077 0.106 Uiso calc R 1 . . H
  H9B 0.2760 0.2122 0.1135 0.106 Uiso calc R 1 . . H
  H9C 0.2012 0.1693 0.1578 0.106 Uiso calc R 1 . . H
  C10 0.2429(2) 0.3618(3) 0.26728(16) 0.0474(7) Uani d . 1 . . C
  H10A 0.1765 0.3220 0.2578 0.071 Uiso calc R 1 . . H
  H10B 0.2429 0.4557 0.2830 0.071 Uiso calc R 1 . . H
  H10C 0.2959 0.3133 0.3115 0.071 Uiso calc R 1 . . H
  C11 0.1439(2) 0.4607(3) 0.00439(18) 0.0532(8) Uani d . 1 . . C
  H11A 0.1190 0.4868 -0.0537 0.080 Uiso calc R 1 . . H
  H11B 0.1142 0.5196 0.0338 0.080 Uiso calc R 1 . . H
  H11C 0.1242 0.3681 0.0088 0.080 Uiso calc R 1 . . H
  C12 0.3012(2) 0.3905(3) -0.00805(18) 0.0628(9) Uani d . 1 . . C
  H12A 0.2797 0.2973 -0.0090 0.094 Uiso calc R 1 . . H
  H12B 0.3756 0.3954 0.0169 0.094 Uiso calc R 1 . . H
  H12C 0.2772 0.4251 -0.0644 0.094 Uiso calc R 1 . . H
  C13 0.1393(3) 0.9341(3) 0.02869(18) 0.0641(9) Uani d . 1 . . C
  H13A 0.1082 1.0146 -0.0026 0.096 Uiso calc R 1 . . H
  H13B 0.2067 0.9561 0.0697 0.096 Uiso calc R 1 . . H
  H13C 0.0963 0.9000 0.0566 0.096 Uiso calc R 1 . . H
  C14 0.0453(2) 0.7849(3) -0.08167(18) 0.0597(8) Uani d . 1 . . C
  H14A 0.0122 0.7452 -0.0474 0.089 Uiso calc R 1 . . H
  H14B 0.0497 0.7182 -0.1209 0.089 Uiso calc R 1 . . H
  H14C 0.0053 0.8614 -0.1118 0.089 Uiso calc R 1 . . H
  C15 0.1995(2) 0.8852(3) -0.08246(18) 0.0537(8) Uani d . 1 . . C
  H15A 0.1635 0.9673 -0.1097 0.064 Uiso calc R 1 . . H
  H15B 0.1941 0.8192 -0.1259 0.064 Uiso calc R 1 . . H
  C16 0.3112(2) 0.9176(3) -0.03418(19) 0.0592(8) Uani d . 1 . . C
  H16A 0.3421 0.9481 -0.0729 0.071 Uiso calc R 1 . . H
  H16B 0.3161 0.9919 0.0043 0.071 Uiso calc R 1 . . H
  C17 0.4627(2) 0.8449(4) 0.0835(2) 0.0932(13) Uani d . 1 . . C
  H17A 0.4972 0.7669 0.1159 0.140 Uiso calc R 1 . . H
  H17B 0.4434 0.9063 0.1184 0.140 Uiso calc R 1 . . H
  H17C 0.5087 0.8905 0.0624 0.140 Uiso calc R 1 . . H
  C18 0.4007(3) 0.7130(4) -0.0415(2) 0.0824(11) Uani d . 1 . . C
  H18A 0.4442 0.7632 -0.0630 0.124 Uiso calc R 1 . . H
  H18B 0.3398 0.6824 -0.0874 0.124 Uiso calc R 1 . . H
  H18C 0.4380 0.6356 -0.0103 0.124 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Li1 0.037(2) 0.038(2) 0.036(2) -0.0014(19) 0.019(2) 0.0026(19)
  Si1 0.0371(4) 0.0320(4) 0.0369(4) 0.0027(3) 0.0177(3) 0.0014(3)
  N1 0.0382(12) 0.0353(11) 0.0369(13) 0.0021(9) 0.0171(10) -0.0045(10)
  N2 0.0378(12) 0.0395(12) 0.0315(12) 0.0036(10) 0.0166(10) 0.0018(10)
  N3 0.0326(12) 0.0591(15) 0.0378(13) -0.0074(11) 0.0100(11) 0.0076(11)
  N4 0.0776(17) 0.0263(12) 0.0540(15) -0.0013(11) 0.0410(14) -0.0026(11)
  C1 0.0306(14) 0.0354(14) 0.0309(14) -0.0049(11) 0.0102(12) -0.0036(11)
  C2 0.0429(15) 0.0266(13) 0.0218(13) -0.0005(11) 0.0143(12) 0.0038(10)
  C3 0.0431(16) 0.0337(14) 0.0308(15) -0.0030(12) 0.0158(13) -0.0029(11)
  C4 0.0357(15) 0.0523(17) 0.0362(16) -0.0013(13) 0.0149(13) 0.0005(13)
  C5 0.0492(18) 0.0456(17) 0.0395(17) 0.0124(13) 0.0221(14) 0.0054(13)
  C6 0.0635(19) 0.0281(13) 0.0334(15) 0.0057(13) 0.0222(14) 0.0016(12)
  C7 0.0437(16) 0.0328(14) 0.0289(14) -0.0059(12) 0.0142(12) 0.0010(11)
  C8 0.0464(17) 0.0603(19) 0.0478(18) 0.0124(14) 0.0177(15) 0.0075(15)
  C9 0.111(3) 0.0355(17) 0.089(3) -0.0013(17) 0.064(2) -0.0015(17)
  C10 0.0569(18) 0.0447(16) 0.0423(17) -0.0016(14) 0.0208(15) 0.0064(14)
  C11 0.0480(18) 0.0584(18) 0.0492(18) -0.0135(14) 0.0142(15) -0.0122(15)
  C12 0.081(2) 0.063(2) 0.050(2) 0.0156(17) 0.0309(18) -0.0074(16)
  C13 0.094(3) 0.0533(19) 0.0493(19) 0.0221(18) 0.0319(18) 0.0023(16)
  C14 0.0437(18) 0.072(2) 0.061(2) 0.0063(16) 0.0169(16) 0.0079(17)
  C15 0.0484(18) 0.067(2) 0.0472(18) 0.0080(15) 0.0202(15) 0.0206(15)
  C16 0.054(2) 0.0605(19) 0.065(2) -0.0093(16) 0.0250(17) 0.0214(17)
  C17 0.060(2) 0.119(3) 0.070(2) -0.044(2) -0.0088(19) 0.030(2)
  C18 0.073(2) 0.113(3) 0.081(3) 0.022(2) 0.051(2) 0.016(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Li1 N2 . 2.085(5) y
  Li1 N3 . 2.104(4) y
  Li1 N1 . 2.203(4) y
  Li1 C1 . 2.261(5) y
  Si1 N4 . 1.720(2) y
  Si1 N1 . 1.783(2) y
  Si1 C1 . 1.787(2) y
  Si1 C8 . 1.869(3) y
  N1 C11 . 1.464(3) ?
  N1 C12 . 1.469(3) ?
  N2 C14 . 1.456(3) ?
  N2 C13 . 1.461(3) ?
  N2 C15 . 1.466(3) ?
  N3 C17 . 1.455(3) ?
  N3 C18 . 1.459(3) ?
  N3 C16 . 1.465(3) ?
  N4 C10 . 1.436(3) ?
  N4 C9 . 1.449(3) ?
  C1 C2 . 1.433(3) ?
  C1 H1 . 0.9800 ?
  C2 C3 . 1.415(3) ?
  C2 C7 . 1.421(3) ?
  C3 C4 . 1.375(3) ?
  C3 H3 . 0.9300 ?
  C4 C5 . 1.383(3) ?
  C4 H4 . 0.9300 ?
  C5 C6 . 1.377(3) ?
  C5 H5 . 0.9300 ?
  C6 C7 . 1.376(3) ?
  C6 H6 . 0.9300 ?
  C7 H7 . 0.9300 ?
  C8 H8A . 0.9600 ?
  C8 H8B . 0.9600 ?
  C8 H8C . 0.9600 ?
  C9 H9A . 0.9600 ?
  C9 H9B . 0.9600 ?
  C9 H9C . 0.9600 ?
  C10 H10A . 0.9600 ?
  C10 H10B . 0.9600 ?
  C10 H10C . 0.9600 ?
  C11 H11A . 0.9600 ?
  C11 H11B . 0.9600 ?
  C11 H11C . 0.9600 ?
  C12 H12A . 0.9600 ?
  C12 H12B . 0.9600 ?
  C12 H12C . 0.9600 ?
  C13 H13A . 0.9600 ?
  C13 H13B . 0.9600 ?
  C13 H13C . 0.9600 ?
  C14 H14A . 0.9600 ?
  C14 H14B . 0.9600 ?
  C14 H14C . 0.9600 ?
  C15 C16 . 1.493(4) ?
  C15 H15A . 0.9700 ?
  C15 H15B . 0.9700 ?
  C16 H16A . 0.9700 ?
  C16 H16B . 0.9700 ?
  C17 H17A . 0.9600 ?
  C17 H17B . 0.9600 ?
  C17 H17C . 0.9600 ?
  C18 H18A . 0.9600 ?
  C18 H18B . 0.9600 ?
  C18 H18C . 0.9600 ?