#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/48/2004844.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_2004844
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1188
_journal_page_last     1190
_publ_section_title
;
Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate
;
_chemical_formula_iupac     '(C14 H36 N6) [Cd Cl4]2'
_chemical_formula_moiety     '(C14 H36 N6 4+ ) , 2(Cd Cl4 2- )'
_chemical_formula_sum     'C14 H36 Cd2 Cl8 N6'
_chemical_formula_weight     796.9
_symmetry_cell_setting     'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     8.366(2)
_cell_length_b     9.430(2)
_cell_length_c     9.642(2)
_cell_angle_alpha     93.62(3)
_cell_angle_beta     103.22(3)
_cell_angle_gamma     91.24(3)
_cell_volume     738.5(3)
_cell_formula_units_Z     1
_exptl_crystal_density_diffrn     1.792
_cell_measurement_temperature     293(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
Cd 1  .33627(4)  .17426(3)  .78609(3)  .03464(10)
Cl1 1  .30554(13)  -.05009(11)  .63415(11)  .0356(2)
Cl2 1  .09828(13)  .14159(12)  .89968(11)  .0380(2)
Cl3 1  .29108(15)  .38161(12)  .64679(12)  .0403(2)
Cl4 1  .58861(15)  .18744(16)  .97410(13)  .0502(3)
N1 1 -0.1494(4)  .5766(3)  .8466(4)  .0284(6)
N2 1 -0.3474(5)  .8220(4)  .7930(4)  .0341(7)
H2A 1 -0.440(10)    .865(8)    .809(8)    .080
H2B 1 -0.281(10)   .815(8)    .881(9)    .080
N3 1  .0163(4)  .8071(4)  .7810(4)  .0298(6)
H3A 1  -.032(9)    .803(8)    .865(8)    .080
H3B 1  .095(10)    .858(8)    .796(8)    .080
C1 1 -0.3290(5)  .5602(5)  .7987(5)  .0400(10)
H1A 1 -0.3751(5)  .5565(5)  .8809(5)  .080
H1B 1 -0.3567(5)  .4715(5)  .7426(5)  .080
C2 1 -0.4042(5)  .6807(5)  .7122(5)  .0362(8)
H2C 1 -0.3712(5)  .6770(5)  .6231(5)  .080
H2D 1 -0.5219(5)  .6708(5)  .6921(5)  .080
C3 1 -0.2576(5)  .9261(4)  .7246(5)  .0343(8)
H3C 1 -0.2153(5) 1.0039(4)  .7932(5)  .080
H3D 1 -0.3345(5)  .9635(4)  .6470(5)  .080
C4 1 -0.1168(5)  .8662(4)  .6695(4)  .0315(7)
H4A 1 -0.1599(5)  .7914(4)  .5976(4)  .080
H4B 1  -.0693(5)  .9391(4)  .6247(4)  .080
C5 1  .0717(5)  .6647(4)  .7359(5)  .0335(8)
H5A 1  .1687(5)  .6402(4)  .8035(5)  .080
H5B 1  .0977(5)  .6685(4)  .6443(5)  .080
C6 1  -.0647(5)  .5523(4)  .7288(4)  .0322(7)
H6A 1 -0.1433(5)  .5550(4)  .6393(4)  .080
H6B 1  -.0194(5)  .4595(4)  .7328(4)  .080
C7 1  -.0908(5)  .4888(4)  .9671(5)  .0324(8)
H7A 1 -0.1130(5)  .3903(4)  .9351(5)  .080
H7B 1 -0.1506(5)  .5108(4) 1.0391(5)  .080
_cod_database_code 2004844