#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/06/2010662.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
loop_
_publ_author_name
'Kabak, Mehmet'
'Elerman, Yal\,cin'
'\"Unalero\>glu, Canan'
'Mert, Y\"uksel'
'Durlu, T.Nuri'
_publ_section_title
;
N,N,N',N'-Tetramethylethylenediammonium dichloride
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e66
_journal_page_last               e67
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'C6 H18 N2 2+, 2Cl 1-'
_chemical_formula_moiety         'C6 H18 N2 2+, 2Cl 1-'
_chemical_formula_sum            'C6 H18 Cl2 N2'
_chemical_formula_weight         189.12
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.93(3)
_cell_angle_beta                 108.27(2)
_cell_angle_gamma                76.65(2)
_cell_formula_units_Z            1
_cell_length_a                   6.1467(12)
_cell_length_b                   8.075(3)
_cell_length_c                   5.770(2)
_cell_measurement_temperature    293(2)
_cell_volume                     261.77(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.200
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010662
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 ?