Crystallography Open Database

Information card for entry 7250683

Preview

Coordinates	7250683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H4 N6 O
Calculated formula	H4 N6 O
Title of publication	Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization
Authors of publication	Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	31
Pages of publication	5312 - 5318
a	3.7631 ± 0.0002 Å
b	14.7655 ± 0.0007 Å
c	7.6847 ± 0.0004 Å
α	90°
β	96.582 ± 0.002°
γ	90°
Cell volume	424.18 ± 0.04 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	3
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	0.0355
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
302575 (current)	2025-10-06	cif/ Updating files of 7250682, 7250683 Original log message: Adding full bibliography for 7250682--7250683.cif.	7250683.cif
301262	2025-07-16	cif/ Adding structures of 7250682, 7250683 via cif-deposit CGI script.	7250683.cif