#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004898.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_2004898
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1166
_journal_page_last     1168
_publ_section_title
;
Bis(N,N-dimethylformamide)(pyrocatecholato-O,O')lithium
;
_chemical_formula_moiety     '[Li (C6 H5 O2 )(C3 H7 N O )2 ]'
_chemical_formula_sum     'C12 H19 Li N2 O4'
_chemical_formula_weight     262.23
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  P21/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     8.2150(10)
_cell_length_b     17.387(2)
_cell_length_c     10.0420(10)
_cell_angle_alpha     90.00
_cell_angle_beta     101.920(10)
_cell_angle_gamma     90.00
_cell_volume     1403.5(3)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.241
_cell_measurement_temperature     200(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  .6305(6)  .6787(3)  .1758(4)  .0236(11)
O1 1  .7312(2)  .74629(10)  .3227(2)  .0220(5)
O2 1  .6960(2)  .75497(10)  .0576(2)  .0205(5)
C1 1  .7800(3)  .8130(2)  .2731(2)  .0182(7)
C2 1  .8442(4)  .8749(2)  .3531(3)  .0230(7)
H2A 1  .8545(4)  .8722(2)  .4490(3)  .028
C3 1  .8943(4)  .9414(2)  .2946(3)  .0281(8)
H3A 1  .9390(4)  .9837(2)  .3503(3)  .034
C4 1  .8780(3)  .9452(2)  .1536(3)  .0275(7)
H4A 1  .9122(3)  .9901(2)  .1130(3)  .033
C5 1  .8117(4)  .8834(2)  .0727(3)  .0234(7)
H5A 1  .8004(4)  .8867(2)  -.0232(3)  .028
C6 1  .7617(3)  .8167(2)  .1297(2)  .0175(6)
O3 1  .6983(2)  .57675(11)  .1471(2)  .0346(6)
N1 1  .6328(3)  .45314(13)  .1847(2)  .0258(6)
C11 1  .6871(4)  .5086(2)  .1147(3)  .0278(8)
H11 1  .7200(4)  .4945(2)  .0327(3)  .033
C12 1  .5808(4)  .4699(2)  .3119(3)  .0403(9)
H12A 1  .4826(15)  .4390(8)  .3173(9)  .060
H12B 1  .554(2)    .5246(3)  .3151(9)  .060
H12C 1  .6714(10)  .4573(10)  .3887(3)  .060
C13 1  .6398(4)  .3729(2)  .1454(3)  .0382(9)
H13A 1  .7284(15)  .3467(3)  .2097(11)  .057
H13B 1  .663(2)    .3699(2)  .0536(8)  .057
H13C 1  .5330(8)  .3481(3)  .1464(18)  .057
O4 1  .4030(2)  .66490(11)  .2018(2)  .0308(6)
N2 1  .2112(3)  .67814(13)  .3345(2)  .0224(6)
C21 1  .3639(4)  .6792(2)  .3121(3)  .0264(7)
H21 1  .4511(4)  .6920(2)  .3867(3)  .032
C22 1  .1743(4)  .7013(2)  .4649(3)  .0342(8)
H22A 1  .0958(18)  .7444(7)  .4508(4)  .051
H22B 1  .2774(5)  .7171(10)  .5267(7)  .051
H22C 1  .125(2)    .6578(4)  .5048(9)  .051
C23 1  .0712(3)  .6597(2)  .2252(3)  .0297(8)
H23A 1  -.0012(11)  .6226(7)  .2580(6)  .044
H23B 1  .1122(4)  .6374(9)  .1487(7)  .044
H23C 1  .0083(12)  .7067(2)  .1953(11)  .044
H1O 1  .716(4)    .749(2)    .441(4)    .097(13)