#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010662.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_2010662
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e66
_journal_page_last  e67
_publ_section_title
;
N,N,N',N'-Tetramethylethylenediammonium dichloride
;
loop_
_publ_author_name
  'Kabak, Mehmet'
  'Elerman, Yal\,cin'
  '\"Unalero\>glu, Canan'
  'Mert, Y\"uksel'
  'Durlu, T.Nuri'
_chemical_formula_moiety  'C6 H18 N2 2+, 2Cl 1-'
_chemical_formula_sum  'C6 H18 Cl2 N2'
_chemical_formula_iupac  'C6 H18 N2 2+, 2Cl 1-'
_chemical_formula_weight  189.12
_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  6.1467(12)
_cell_length_b  8.075(3)
_cell_length_c  5.770(2)
_cell_angle_alpha  101.93(3)
_cell_angle_beta  108.27(2)
_cell_angle_gamma  76.65(2)
_cell_volume  261.77(14)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.200
_diffrn_ambient_temperature  293(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
  Cl1 1.27032(11) 1.23232(9) 1.60873(11)  .0459(2) Uani d . 1 . . Cl
  N1 1.1431(4)  .7927(3)  .8388(4)  .0341(4) Uani d . 1 . . N
  H1 1.010(6)  .785(4)  .681(6)  .051 Uiso d . 1 . . H
  C3 1.3483(5)  .7534(4)  .7396(5)  .0477(6) Uani d . 1 . . C
  H3A 1.3368  .8397  .6420  .072 Uiso calc R 1 . . H
  H3B 1.3524  .6427  .6388  .072 Uiso calc R 1 . . H
  H3C 1.4882  .7526  .8739  .072 Uiso calc R 1 . . H
  C2 1.1553(6)  .6607(3)  .9900(6)  .0492(7) Uani d . 1 . . C
  H2A 1.0216  .6883 1.0523  .074 Uiso calc R 1 . . H
  H2B 1.2943  .6588 1.1256  .074 Uiso calc R 1 . . H
  H2C 1.1580  .5498  .8899  .074 Uiso calc R 1 . . H
  C1 1.1201(4)  .9718(3)  .9780(5)  .0363(5) Uani d . 1 . . C
  H1A 1.1426 1.0505  .8847  .054 Uiso calc R 1 . . H
  H1B 1.2392  .9752 1.1351  .054 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
  Cl1  .0413(4)  .0555(4)  .0371(3)  -.0113(3)  .0070(2)  .0017(3)
  N1  .0356(10)  .0339(10)  .0318(9)  -.0068(8)  .0107(8)  .0001(8)
  C3  .0438(14)  .0555(16)  .0456(14)  -.0050(12)  .0214(12)  .0017(12)
  C2  .0608(17)  .0341(13)  .0587(17)  -.0087(12)  .0246(14)  .0073(12)
  C1  .0387(13)  .0312(11)  .0415(12)  -.0108(9)  .0148(10)  .0002(9)
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
  N1 C2 . 1.486(3) y
  N1 C3 . 1.487(3) y
  N1 C1 . 1.501(3) y
  N1 H1 . 1.02(3) y
  C3 H3A .  .9600 ?
  C3 H3B .  .9600 ?
  C3 H3C .  .9600 ?
  C2 H2A .  .9600 ?
  C2 H2B .  .9600 ?
  C2 H2C .  .9600 ?
  C1 C1 2_777 1.526(5) y
  C1 H1A .  .9700 ?
  C1 H1B .  .9700 ?