#------------------------------------------------------------------------------
#$Date: 2017-08-03 01:37:41 +0200 (jue 03 de ago de 2017) $
#$Revision: 199473 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103380.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_2103380
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 H14 N2 O8 Co, H4 O1.5'
_chemical_formula_sum            'C10 H20 Co N2 O9.5'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 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                   11.053
_cell_length_b                   11.053
_cell_length_c                   9.889
_cell_volume                     1046.269
_cod_data_source_file            bk0117.cif
_cod_data_source_block           YASROZ
_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 H20 N2 O9.5 Co'
_cod_database_code               2103380
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co 0.0 0.41376 0.16667
O1 0.14794 0.48752 0.29306
O2 -0.09600 0.23910 0.26210
O5 0.17818 0.52050 0.51483
O6 -0.22286 0.09222 0.42096
O9 0.0 0.0228 0.1667
O10 -0.1564 -0.1564 0.0
N -0.07448 0.50078 0.27883
C1 -0.00744 0.65215 0.24315
C3 -0.04118 0.47664 0.41888
C4 0.10686 0.49900 0.41263
C5 -0.14379 0.32966 0.46536
C6 -0.15210 0.21578 0.37709
H1 -0.17410 0.46387 0.26818
H3 -0.06564 0.68999 0.27232
H4 0.08367 0.70401 0.28550
H7 -0.04752 0.53963 0.48303
H8 -0.23584 0.32018 0.46882
H9 -0.11672 0.317305 0.55533
