#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/72/2007273.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_2007273
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_publ_section_title
;
Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide
Etherate,
{[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~
;
loop_
_publ_author_name
  'Boyle, Timothy J.'
  'Scott, Brian L.'
_chemical_formula_moiety  '[Li2 (C6 H18 N Si2 )2 (C4 H10 O )2 ]'
_chemical_formula_sum  'C20 H56 Li2 N2 O2 Si4'
_chemical_formula_weight  482.91
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'P -4 n 2'
_symmetry_space_group_name_Hall  'P -4 -2n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  'y, -x, -z'
  '-y, x, -z'
  'x+1/2, -y+1/2, z+1/2'
  '-x+1/2, y+1/2, z+1/2'
  'y+1/2, x+1/2, -z+1/2'
  '-y+1/2, -x+1/2, -z+1/2'
_cell_length_a  9.7390(10)
_cell_length_b  9.7390(10)
_cell_length_c  16.9210(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1604.9(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  198
_exptl_crystal_density_diffrn  .999
_diffrn_ambient_temperature  198
_refine_ls_R_factor_obs  .0358
_refine_ls_wR_factor_obs  .1022
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Si1  .91820(6)  .37091(6)  .10507(4)  .0355(2) Uani d . 1 . Si
  O1 1.2298(2)  .2702(2)  .2500  .0446(6) Uani d S 1 . O
  N1 1.0000  .5000  .15387(14)  .0326(6) Uani d S 1 . N
  Li1 1.0891(4)  .4109(4)  .2500  .0402(13) Uani d S 1 . Li
  C1  .7372(3)  .4175(3)  .0769(2)  .0538(7) Uani d . 1 . C
  H1A  .6887(3)  .4490(3)  .1229(2)  .081 Uiso calc R 1 . H
  H1B  .6917(3)  .3382(3)  .0556(2)  .081 Uiso calc R 1 . H
  H1C  .7388(3)  .4890(3)  .0379(2)  .081 Uiso calc R 1 . H
  C2 1.0041(3)  .3109(3)  .01151(15)  .0512(7) Uani d . 1 . C
  H2A 1.0974(3)  .2857(3)  .02274(15)  .077 Uiso calc R 1 . H
  H2B 1.0029(3)  .3835(3)  -.02681(15)  .077 Uiso calc R 1 . H
  H2C  .9558(3)  .2327(3)  -.00907(15)  .077 Uiso calc R 1 . H
  C3  .9048(3)  .2108(3)  .1675(2)  .0534(7) Uani d . 1 . C
  H3A  .9950(3)  .1824(3)  .1836(2)  .080 Uiso calc R 1 . H
  H3B  .8625(3)  .1389(3)  .1373(2)  .080 Uiso calc R 1 . H
  H3C  .8501(3)  .2297(3)  .2134(2)  .080 Uiso calc R 1 . H
  C4 1.2933(3)  .2227(3)  .17892(15)  .0568(7) Uani d . 1 . C
  H4A 1.2528(3)  .2706(3)  .13441(15)  .068 Uiso calc R 1 . H
  H4B 1.2735(3)  .1257(3)  .17267(15)  .068 Uiso calc R 1 . H
  C5 1.4452(4)  .2428(5)  .1767(3)  .0947(14) Uani d . 1 . C
  H5A 1.4808(4)  .2087(5)  .1276(3)  .142 Uiso calc R 1 . H
  H5B 1.4867(4)  .1937(5)  .2198(3)  .142 Uiso calc R 1 . H
  H5C 1.4659(4)  .3388(5)  .1815(3)  .142 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
  Si1  .0416(4)  .0389(3)  .0259(3)  -.0055(3)  -.0019(3)  -.0029(3)
  O1  .0515(9)  .0515(9)  .0309(10)  .0099(11)  -.0020(8)  -.0020(8)
  N1  .0388(14)  .0356(14)  .0233(12)  -.0045(10)  .000  .000
  Li1  .043(2)  .043(2)  .035(3)  .004(2)  -.002(2)  -.002(2)
  C1  .047(2)  .058(2)  .056(2)  -.0072(12)  -.0098(13)  -.0070(13)
  C2  .061(2)  .056(2)  .0369(13)  -.0069(13)  .0017(12)  -.0138(12)
  C3  .072(2)  .0413(14)  .0472(14)  -.0130(12)  -.0004(14)  .0016(12)
  C4  .062(2)  .065(2)  .0430(13)  .0088(14)  .0067(13)  -.0046(14)
  C5  .066(2)  .138(4)  .079(2)  -.001(2)  .014(2)  -.014(3)
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
  Si1 N1 . 1.7020(13) yes
  Si1 C1 . 1.882(3) ?
  Si1 C2 . 1.884(3) ?
  Si1 C3 . 1.888(3) ?
  Si1 Li1 . 2.989(2) ?
  O1 C4 . 1.430(3) ?
  O1 Li1 . 1.938(6) yes
  N1 Li1 . 2.037(4) yes
  Li1 Li1 2_765 2.454(12) yes
  N1 N1 7_545 3.253(4) yes
  C4 C5 . 1.493(5) ?
_cod_database_code 2007273