#------------------------------------------------------------------------------
#$Date: 2017-08-03 01:37:41 +0200 (jue 03 de ago de 2017) $
#$Revision: 199473 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103372.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_2103372
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group C₃: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C10 H7 N2 O10 Cu Cr2'
_chemical_formula_sum            'C10 H7 Cr2 Cu N2 O10'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   8.986
_cell_length_b                   8.986
_cell_length_c                   19.040
_cell_volume                     1331.467
_cod_data_source_file            bk0117.cif
_cod_data_source_block           SOTROI
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C10 H7 N2 O10 Cu Cr2'
_cod_database_code               2103372
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.0 0.48213 0.33333
Cr 0.20878 0.82138 0.30222
O1 0.3666 0.8420 0.4448
O2 0.5462 1.0810 0.2439
O3 0.3450 0.5888 0.2566
O4 0.1970 1.1396 0.3451
O5 0.0230 0.7878 0.1646
N1 0.0660 0.3766 0.4170
C1 0.3038 0.8295 0.3924
C2 0.4146 0.9800 0.2661
C3 0.2778 0.6638 0.2748
C4 0.1898 1.0120 0.3292
C5 0.0946 0.7992 0.2150
H1 0.1794 0.3944 0.4098
H2 -0.0149 0.2558 0.4200
H3 0.0634 0.4314 0.4596
