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#$Date: 2017-08-03 02:37:41 +0300 (Thu, 03 Aug 2017) $
#$Revision: 199473 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/33/2103366.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_2103366
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         'C6 H6 N4 Ag, N O3'
_chemical_formula_sum            'C6 H6 Ag N5 O3'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32 1 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.147
_cell_length_b                   10.147
_cell_length_c                   7.765
_cell_volume                     692.385
_cod_data_source_file            bk0117.cif
_cod_data_source_block           NIPMAA
_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        'C6 H6 N5 O3 Ag'
_cod_database_code               2103366
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag 0.9500 0.9000 0.3333
N1 0.7759 0.9377 0.2236
C1 0.7917 1.0708 0.1742
C3 0.6190 0.8022 0.2278
C4 0.5292 0.8599 0.1722
C5 1.1328 1.3704 0.1144
C6 1.0565 1.4345 0.1588
N3 0.6276 1.0124 0.1474
N4 0.9088 1.3244 0.1937
N5 0.7963 0.5411 0.3595
O1 0.7363 0.6022 0.4300
O2 0.9194 0.6182 0.2796
O3 0.7370 0.4024 0.3770
