Crystallography Open Database

Information card for entry 7236629

Preview

Coordinates	7236629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 K N10 O3
Calculated formula	C2 H3 K N10 O3
Title of publication	Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials
Authors of publication	Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua
Journal of publication	J. Mater. Chem. A
Year of publication	2017
Journal volume	5
Journal issue	39
Pages of publication	20867
a	6.3241 ± 0.0009 Å
b	18.197 ± 0.003 Å
c	7.7647 ± 0.0011 Å
α	90°
β	95.544 ± 0.004°
γ	90°
Cell volume	889.4 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
236370 (current)	2019-11-24	cif/ Adding structures of 7236629, 7236630, 7236631, 7236632, 7236633, 7236634 via cif-deposit CGI script.	7236629.cif