Crystallography Open Database

Information card for entry 7240221

Preview

Coordinates	7240221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 N9 O4
Calculated formula	C5 H11 N9 O4
SMILES	[O-]n1nnnc1c1n(O)nnn1.O[NH+]=C(C)C.O
Title of publication	Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents
Authors of publication	Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	20
Pages of publication	11939 - 11944
a	6.811 ± 0.0005 Å
b	7.3961 ± 0.0005 Å
c	11.6431 ± 0.0009 Å
α	73.627 ± 0.002°
β	82.716 ± 0.002°
γ	83.323 ± 0.002°
Cell volume	556.19 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
258076 (current)	2020-10-06	cif/ Updating files of 7240219, 7240220, 7240221 Original log message: Adding full bibliography for 7240219--7240221.cif.	7240221.cif
249783	2020-03-27	cif/ Adding structures of 7240219, 7240220, 7240221 via cif-deposit CGI script.	7240221.cif