Crystallography Open Database

Information card for entry 7251338

Preview

Coordinates	7251338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 K2 N9 O5
Calculated formula	C5 H5 K2 N9 O5
Title of publication	New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs
Authors of publication	Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.
Journal of publication	CrystEngComm
Year of publication	2025
a	6.9975 ± 0.0002 Å
b	8.944 ± 0.0002 Å
c	11.0111 ± 0.0003 Å
α	66.363 ± 0.003°
β	86.447 ± 0.002°
γ	75.934 ± 0.002°
Cell volume	611.9 ± 0.03 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303449 (current)	2025-11-27	cif/ Adding structures of 7251336, 7251337, 7251338, 7251339 via cif-deposit CGI script.	7251338.cif