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#$Date: 2016-01-21 11:29:03 +0200 (Thu, 21 Jan 2016) $
#$Revision: 174681 $
#$URL: svn://www.crystallography.net/cod/cif/6/00/07/6000746.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_6000746
loop_
_publ_author_name
'Ochando, L. E.'
'Rius, J.'
'Louer, D.'
'Claramunt, R. M.'
'Lopez, C.'
'Elguero, J.'
'Amigo, J. M.'
_publ_section_title
;
 Phase transitions in tris(3,5-dimethylpyrazol-1-yl)methane. The structure
 of the high-temperature phase from X-ray powder diffraction
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              939
_journal_page_last               944
_journal_paper_doi               10.1107/S0108768197007830
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C16 H22 N6'
_space_group_name_H-M_alt        'P 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   16.1520
_cell_length_b                   16.1520
_cell_length_c                   5.3530
_cell_volume                     1209.43
_cod_duplicate_entry             2101950
_cod_database_code               6000746
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
