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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/2/00/09/2000915.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_2000915
loop_
_publ_author_name
'Valle, G.'
'Ettorre, R.'
_publ_section_title
;
 Structure of 2-chloroimidazolium aquatrichlorocuprate(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              919
_journal_page_last               921
_journal_paper_doi               10.1107/S0108270191011757
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C3 H4 Cl1 N2,H2 Cl3 Cu1 O1'
_chemical_formula_sum            'C3 H6 Cl4 Cu N2 O'
_chemical_formula_weight         291.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.8(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0230(10)
_cell_length_b                   13.881(2)
_cell_length_c                   7.3410(10)
_cell_volume                     910.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    3.372
_exptl_crystal_density_diffrn    2.13
_exptl_crystal_F_000             572
_cod_data_source_file            ge0278.cif
_cod_data_source_block           ge0278a
_cod_original_formula_sum        'C3 H6 Cl4 Cu1 N2 O1'
_cod_database_code               2000915
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu .41490(10) .23894(8) .1850(2) .0280(4)
Cl(1) .6021(2) .2589(2) .4193(3) .0341(7)
Cl(2) -.1374(3) .3899(2) .1520(5) .0550(10)
Cl(3) .2055(3) .2415(2) -.0262(3) .0335(7)
Cl(4) .4024(2) .0752(2) .2253(4) .0344(7)
O(1)W .4095(7) .3852(5) .1554(9) .034(2)
N(1) -.0488(9) .5618(6) .2850(10) .037(3)
N(3) .1333(9) .4658(7) .2570(10) .045(3)
C(2) -.0140(10) .4755(7) .2320(10) .030(3)
C(4) .1930(10) .5531(8) .326(2) .043(4)
C(5) .0790(10) .6118(7) .344(2) .041(4)
H(1)N1 -.161540 .589120 .282480 ?
H(1)N3 .196440 .402180 .228760 ?
H(1)C4 .310870 .570760 .359390 ?
H(1)C5 .086730 .685600 .394620 ?
H(1)OW .396070 .403630 .010560 ?
H(2)OW .498610 .409890 .212380 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cu Cl(1) 2.258(5)
Cu Cl(4) 2.296(3)
C(2) Cl(2) 1.680(10)
N(1) C(5) 1.360(10)
N(3) C(4) 1.390(10)
Cu Cl(3) 2.276(5)
Cu O(1)W 2.041(6)
N(1) C(2) 1.310(10)
N(3) C(2) 1.320(10)
C(4) C(5) 1.33(2)
