Crystallography Open Database

Information card for entry 7215106

Preview

Coordinates	7215106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N28 O11
Calculated formula	C13 H18 N28 O11
SMILES	o1nc(Oc2nonc2c2[n-]nnn2)c(n1)c1nnn[nH]1.o1nc(Oc2nonc2c2[n-]nnn2)c(n1)c1nnn[nH]1.O=C(N[NH3+])N[NH3+].O.O.O.O
Title of publication	Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity
Authors of publication	Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	41
Pages of publication	21954
a	12.2118 ± 0.001 Å
b	9.2324 ± 0.0005 Å
c	13.7527 ± 0.0014 Å
α	90°
β	114.505 ± 0.004°
γ	90°
Cell volume	1410.9 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180482 (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 7/21/51.	7215106.cif
111079	2014-04-20	cif/ Adding structures of 7215105, 7215106, 7215107, 7215108 via cif-deposit CGI script.	7215106.cif