#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005038.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_2005038
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1346
_journal_page_last     1348
_publ_section_title
;
Tetrakis[(\m~3~-2-methyl-5-thienyl)tetrakis(diethyl
ether-O)-tetrahedro-tetralithium
;
_chemical_formula_iupac     '[Li (C5 H5 S) (C4 H10 O)]'
_chemical_formula_moiety     'C5 H5 S Li, C4 H10 O'
_chemical_formula_sum     'C9 H15 Li O S'
_chemical_formula_weight     178.21
_symmetry_cell_setting    'tetragonal'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
_symmetry_space_group_name_H-M     'I 41/a'
_cell_length_a     19.649(3)
_cell_length_b     19.649(3)
_cell_length_c     10.704(2)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     4132.6(12)
_cell_formula_units_Z     16
_exptl_crystal_density_diffrn     1.146
_cell_measurement_temperature     111(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1 1  .4663(6)  .3095(6)  -.0320(11)  .041(3)
S1 1  .59177(10)  .36337(10)  .0943(2)  .0495(8)
C2 1  .6756(4)  .3469(5)  .1316(8)  .057(2)
C3 1  .6959(4)  .2914(5)  .0659(8)  .052(2)
H3A 1  .7402(4)  .2722(5)  .0717(8)  .063
C4 1  .6435(4)  .2650(4)  -.0131(8)  .049(2)
H4A 1  .6516(4)  .2267(4)  -.0652(8)  .059
C5 1  .5801(4)  .2968(3)  -.0117(7)  .035(2)
C6 1  .7138(4)  .3878(5)  .2246(9)  .084(3)
H6A 1  .7538(4)  .3622(5)  .2526(9)  .126
H6B 1  .6845(4)  .3977(5)  .2964(9)  .126
H6C 1  .7285(4)  .4306(5)  .1860(9)  .126
O7 1  .4284(2)  .3837(3)  .0791(4)  .0470(15)
C8 1  .4096(4)  .4495(4)  .0294(8)  .055(2)
H8A 1  .4410(4)  .4618(4)  -.0394(8)  .066
H8B 1  .4140(4)  .4843(4)  .0957(8)  .066
C9 1  .3381(4)  .4489(4)  -.0185(9)  .066(3)
H9A 1  .3266(4)  .4939(4)  -.0516(9)  .098
H9B 1  .3070(4)  .4374(4)  .0499(9)  .098
H9C 1  .3339(4)  .4148(4)  -.0850(9)  .098
C10 1  .4160(6)  .3838(6)  .2099(10)  .092(3)
H10A 1  .4494(6)  .4139(6)  .2516(10)  .111
H10B 1  .3699(6)  .4022(6)  .2262(10)  .111
C11 1  .4210(5)  .3172(5)  .2605(9)  .079(3)
H11A 1  .4122(5)  .3188(5)  .3505(9)  .119
H11B 1  .4668(5)  .2993(5)  .2456(9)  .119
H11C 1  .3874(5)  .2875(5)  .2202(9)  .119