Crystallography Open Database

Information card for entry 2101950

2101949 << 2101950 >> 2101951

Preview

Coordinates	2101950.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H22 N6
Calculated formula	C17.3333 H23.3333 N6
Title of publication	Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction
Authors of publication	Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	6
Pages of publication	939 - 944
a	16.152 ± 0.001 Å
b	16.152 ± 0.001 Å
c	5.353 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1209.4 ± 0.2 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2101950.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2101950.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2101950.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2101950.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2101950.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2101950.cif