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#$Date: 2016-02-16 12:49:47 +0000 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007724.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007724
loop_
_publ_author_name
'Norman, R. E.'
'Rose, N. J.'
'Stenkamp, R. E.'
_publ_section_title
;
 Mono-amino-acid-copper complexes: syntheses and structures of
 chloro(glycinato)(methanol)copper(II)
 and chloro(glycinato)(1-methylimidazole)copper(II)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1107/S0108270189005238
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     CuCl(C2H4NO2)(CH4O)
_chemical_formula_sum            'C3 Cl Cu N O3'
_space_group_IT_number           14
_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                 100.24
_cell_angle_gamma                90
_cell_length_a                   5.192
_cell_length_b                   7.945
_cell_length_c                   16.51
_cell_volume                     670.197
_exptl_crystal_density_diffrn    1.953
_cod_original_formula_sum        'Cu Cl N C3 O3'
_cod_database_code               9007724
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Cu 0.98037 0.42577 0.38209 0.03840
Cl 0.20227 0.30117 0.49565 0.04920
N 0.23770 0.60490 0.38270 0.04600
C1 1.14130 0.73410 0.32530 0.04800
C2 0.87100 0.69280 0.27790 0.03700
C3 0.69720 0.08970 0.39620 0.06500
O1 0.76200 0.56240 0.29740 0.03500
O2 0.77360 0.79310 0.22170 0.04900
O3 0.69960 0.25810 0.36600 0.05000