#------------------------------------------------------------------------------
#$Date: 2017-08-03 02:37:41 +0300 (Thu, 03 Aug 2017) $
#$Revision: 199473 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/33/2103361.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_2103361
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 H13 N2 B'
_chemical_formula_sum            'C5 H13 B N2'
_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                   7.373
_cell_length_b                   7.373
_cell_length_c                   10.878
_cell_volume                     512.116
_cod_data_source_file            bk0117.cif
_cod_data_source_block           KIHBIM
_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        'C5 H13 N2 B'
_cod_database_code               2103361
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
B 0.3968 0.3968 0.0
N 0.5961 0.4246 -0.0320
C1 0.6400 0.7596 0.0068
C3 0.6610 0.2700 -0.0408
C4 0.1840 0.1840 0.0
H1 0.6470 0.8375 -0.0672
H2 0.6940 0.8633 0.0699
H5 0.5402 0.1366 -0.0624
H6 0.7289 0.2641 0.0392
H7 0.7680 0.3082 -0.1048
