Crystallography Open Database

Information card for entry 7215088

Preview

Coordinates	7215088.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5,5-bis(1-hydroxy-tetrazole) dihydrate
Chemical name	5,5-bis(1-hydroxy-tetrazole) dihydrate
Formula	C2 H6 N8 O4
Calculated formula	C2 H6 N8 O4
SMILES	c1(n(nnn1)O)c1n(nnn1)O.O.O
Title of publication	Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
Authors of publication	Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	38
Pages of publication	20418
a	7.7443 ± 0.0003 Å
b	6.2459 ± 0.0003 Å
c	8.7 ± 0.0003 Å
α	90°
β	116.052 ± 0.002°
γ	90°
Cell volume	378.06 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180481 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50.	7215088.cif
111071	2014-04-20	cif/ Adding structures of 7215083, 7215084, 7215085, 7215086, 7215087, 7215088 via cif-deposit CGI script.	7215088.cif