#------------------------------------------------------------------------------
#$Date: 2017-08-04 15:01:56 +0200 (vie 04 de ago de 2017) $
#$Revision: 199519 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103362.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_2103362
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         'C5 H11 B N2'
_chemical_formula_sum            'C5 H11 B N2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.518
_cell_length_b                   6.518
_cell_length_c                   16.080
_cell_volume                     683.148
_cod_data_source_file            bk0117.cif
_cod_data_source_block           KIHBOS
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-04

 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        'C5 H11 N2 B'
_cod_database_code               2103362
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
B 0.6342 0.6342 0.0 0
N 0.6354 0.8234 -0.0455 0
C1 0.9283 0.8160 0.0268 1
C3 0.4786 0.9086 -0.0994 3
C4 0.4650 0.4650 0.0 3
