#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008583.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_2008583
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  867
_journal_page_last  869
_publ_section_title
;
catena-Poly[[bis(\m-2,6-dimethylpiperidinido-N:N)dilithium]-\m-(N,N,N',N'-
tetramethylethylenediamine-N:N')]
;
loop_
_publ_author_name
  'Clegg, William'
  'Horsburgh, Lynne'
  'Couper, Scott A.'
  'Mulvey, Robert E.'
_chemical_formula_sum  'C20 H44 Li2 N4'
_chemical_formula_iupac  'Li2 (C6 H16 N2) (C7 H14 N)2'
_chemical_formula_weight  354.47
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.904(5)
_cell_length_b  8.899(6)
_cell_length_c  9.335(7)
_cell_angle_alpha  108.26(4)
_cell_angle_beta  112.63(3)
_cell_angle_gamma  91.41(3)
_cell_volume  567.6(7)
_cell_formula_units_Z  1
_cell_measurement_temperature  160(2)
_exptl_crystal_density_diffrn  1.037
_diffrn_ambient_temperature  160(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
  Li  .4472(3)  .6233(2)  .4892(3)  .0253(4) Uani d . 1 . . Li
  N1  .59448(13)  .58437(11)  .70404(12)  .0238(3) Uani d . 1 . . N
  C1  .49778(18)  .56225(15)  .80393(16)  .0286(3) Uani d . 1 . . C
  H1  .5781  .5111  .8814  .034 Uiso calc R 1 . . H
  C2  .4659(2)  .71986(16)  .91008(18)  .0368(3) Uani d . 1 . . C
  H2A  .3828  .7719  .8369  .044 Uiso calc R 1 . . H
  H2B  .4041  .6967  .9769  .044 Uiso calc R 1 . . H
  C3  .6480(2)  .83313(16) 1.02436(17)  .0395(4) Uani d . 1 . . C
  H3A  .6227  .9400 1.0773  .047 Uiso calc R 1 . . H
  H3B  .7205  .7919 1.1128  .047 Uiso calc R 1 . . H
  C4  .75924(19)  .84824(16)  .92790(17)  .0360(3) Uani d . 1 . . C
  H4A  .8851  .9088 1.0059  .043 Uiso calc R 1 . . H
  H4B  .6983  .9093  .8552  .043 Uiso calc R 1 . . H
  C5  .77594(17)  .68274(15)  .82182(16)  .0296(3) Uani d . 1 . . C
  H5  .8382  .6250  .8992  .035 Uiso calc R 1 . . H
  C6  .90167(19)  .70195(18)  .73852(19)  .0411(4) Uani d . 1 . . C
  H6A 1.0232  .7627  .8228  .062 Uiso calc R 1 . . H
  H6B  .8460  .7597  .6626  .062 Uiso calc R 1 . . H
  H6C  .9172  .5959  .6763  .062 Uiso calc R 1 . . H
  C7  .3142(2)  .44993(17)  .69851(18)  .0379(4) Uani d . 1 . . C
  H7A  .2559  .4351  .7698  .057 Uiso calc R 1 . . H
  H7B  .3355  .3460  .6373  .057 Uiso calc R 1 . . H
  H7C  .2321  .4959  .6200  .057 Uiso calc R 1 . . H
  N2  .31558(14)  .82032(12)  .43349(13)  .0268(3) Uani d . 1 . . N
  C8  .41197(17)  .98801(14)  .51236(16)  .0283(3) Uani d . 1 . . C
  H8A  .4437 1.0232  .6326  .034 Uiso calc R 1 . . H
  H8B  .3263 1.0569  .4663  .034 Uiso calc R 1 . . H
  C9  .2419(2)  .76955(16)  .25212(17)  .0381(4) Uani d . 1 . . C
  H9A  .3452  .7699  .2187  .057 Uiso calc R 1 . . H
  H9B  .1615  .8439  .2142  .057 Uiso calc R 1 . . H
  H9C  .1699  .6611  .2024  .057 Uiso calc R 1 . . H
  C10  .1593(2)  .81009(18)  .4807(2)  .0417(4) Uani d . 1 . . C
  H10A  .2062  .8477  .6017  .062 Uiso calc R 1 . . H
  H10B  .0966  .6985  .4340  .062 Uiso calc R 1 . . H
  H10C  .0711  .8773  .4377  .062 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
  Li  .0263(10)  .0199(10)  .0278(10)  .0063(8)  .0094(8)  .0081(8)
  N1  .0253(5)  .0200(5)  .0226(5)  .0034(4)  .0076(4)  .0059(4)
  C1  .0363(7)  .0239(7)  .0265(7)  .0072(5)  .0130(5)  .0098(5)
  C2  .0521(8)  .0302(7)  .0345(8)  .0113(6)  .0250(7)  .0103(6)
  C3  .0607(9)  .0244(7)  .0261(7)  .0109(6)  .0140(6)  .0040(6)
  C4  .0386(7)  .0240(7)  .0303(7)  -.0005(5)  .0027(6)  .0052(6)
  C5  .0291(6)  .0248(7)  .0270(7)  .0039(5)  .0042(5)  .0083(5)
  C6  .0299(7)  .0410(8)  .0443(9)  .0012(6)  .0105(6)  .0109(7)
  C7  .0416(8)  .0319(8)  .0431(8)  .0031(6)  .0216(7)  .0117(6)
  N2  .0288(5)  .0199(5)  .0283(6)  .0059(4)  .0085(4)  .0081(4)
  C8  .0331(7)  .0193(6)  .0299(7)  .0081(5)  .0115(5)  .0068(5)
  C9  .0436(8)  .0279(7)  .0287(7)  .0056(6)  .0011(6)  .0090(6)
  C10  .0348(7)  .0341(8)  .0566(10)  .0068(6)  .0195(7)  .0157(7)
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
  Li N1 . 2.038(3) yes
  Li N1 2_666 2.050(3) yes
  Li N2 . 2.161(2) yes
  N1 C1 . 1.466(2) no
  N1 C5 . 1.468(2) no
  N1 Li 2_666 2.050(3) no
  C1 C7 . 1.512(2) no
  C1 C2 . 1.533(2) no
  C2 C3 . 1.516(2) no
  C3 C4 . 1.510(2) no
  C4 C5 . 1.537(2) no
  C5 C6 . 1.514(2) no
  N2 C9 . 1.469(2) no
  N2 C10 . 1.472(2) no
  N2 C8 . 1.474(2) no
  C8 C8 2_676 1.516(3) no