Crystallography Open Database

Information card for entry 7710485

Preview

Coordinates	7710485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H7 N6 O3.5
Calculated formula	C2 H7 N6 O3.5
SMILES	c1(C(=O)N[NH3+])n(nnn1)[O-].O.O
Title of publication	Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance
Authors of publication	Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.5771 ± 0.0004 Å
b	8.9197 ± 0.0004 Å
c	9.7491 ± 0.0005 Å
α	70.68 ± 0.001°
β	71.552 ± 0.001°
γ	77.668 ± 0.001°
Cell volume	662.73 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0447
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
294865 (current)	2024-09-24	cif/7: Fixing Z values and formulae	7710485.cif
276055	2022-06-16	cif/ Adding structures of 7710481, 7710482, 7710483, 7710484, 7710485 via cif-deposit CGI script.	7710485.cif