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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/10/2001098.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001098
loop_
_publ_author_name
'Chen, X.-M.'
'Mak, T. C. W.'
'Huang, W.-Y.'
'Lü, L.'
_publ_section_title
;
 Metal-betaine interactions. XI. Structure of
 catena-[μ-dichloro-(triethylammonioacetato)cadmium(II)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               59
_journal_paper_doi               10.1107/S0108270191008363
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H17 Cd Cl2 N O2'
_chemical_formula_weight         342.55
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.097(4)
_cell_length_b                   9.714(2)
_cell_length_c                   13.8450(10)
_cell_volume                     2431.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.21
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_meas      1.862
_exptl_crystal_F_000             1360
_cod_data_source_file            as0497.cif
_cod_data_source_block           as0497a
_cod_original_cell_volume        2431.1(7)
_cod_original_formula_sum        'C8 H17 Cd1 Cl2 N1 O2'
_cod_database_code               2001098
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd(1) .020540(10) .09493(2) .383360(10) .03220(10)
Cl(1) -.05913(4) .13420(7) .54382(5) .0429(2)
Cl(2) .09577(4) .06872(8) .22679(4) .0420(2)
O(1) .02860(10) .3420(2) .39280(10) .0428(6)
O(2) .11760(10) .2255(2) .4692(2) .0472(6)
C(1) .08160(10) .3328(3) .4527(2) .0360(10)
C(2) .09730(10) .4651(3) .5095(2) .0340(10)
N(1) .16260(10) .4688(2) .5798(2) .0329(6)
C(3) .1602(2) .6104(3) .6270(2) .0410(10)
C(4) .2240(2) .6416(4) .6973(3) .0710(10)
C(5) .1583(2) .3567(3) .6563(2) .0520(10)
C(6) .0885(2) .3559(5) .7122(3) .077(2)
C(7) .2343(2) .4464(3) .5289(3) .0530(10)
C(8) .2504(2) .5456(5) .4520(3) .079(2)
H(2A) .0543 .4846 .5453 ?
H(2B) .1043 .5370 .4632 ?
H(3A) .1153 .6170 .6611 ?
H(3B) .1600 .6785 .5767 ?
H(4A) .2181 .7323 .7234 ?
H(4B) .2696 .6369 .6644 ?
H(4C) .2249 .5754 .7488 ?
H(5A) .1994 .3684 .7016 ?
H(5B) .1622 .2693 .6246 ?
H(6A) .0908 .2821 .7583 ?
H(6B) .0465 .3429 .6684 ?
H(6C) .0838 .4420 .7454 ?
H(7A) .2325 .3561 .5007 ?
H(7B) .2741 .4508 .5769 ?
H(8A) .2967 .5221 .4249 ?
H(8B) .2534 .6368 .4785 ?
H(8C) .2118 .5421 .4024 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cd(1) Cl(1) 2.7270(10)
Cd(1) O(1) 2.407(2)
Cd(1) Cl(1) 2.5290(10)
O(1) C(1) 1.245(3)
C(1) C(2) 1.527(4)
N(1) C(3) 1.524(3)
N(1) C(7) 1.519(4)
C(5) C(6) 1.509(5)
Cd(1) Cl(2) 2.6210(10)
Cd(1) O(2) 2.435(2)
Cd(1) Cl(2) 2.5580(10)
O(2) C(1) 1.245(3)
C(2) N(1) 1.499(3)
N(1) C(5) 1.523(4)
C(3) C(4) 1.508(5)
C(7) C(8) 1.474(5)
