Crystallography Open Database

Information card for entry 7718575

Preview

Coordinates	7718575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 N10 O2
Calculated formula	C5 H4 N10 O2
Title of publication	Exploring the energetic potential of 2,5-disubstituted tetrazoles: a case of 2,5-bis(oxadiazolyl)tetrazoles.
Authors of publication	Sereda, Vera A.; Dubasova, Ekaterina V.; Ananyev, Ivan V.; Kosareva, Ekaterina K.; Fershtat, Leonid L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	22
Pages of publication	8870 - 8880
a	6.754 ± 0.002 Å
b	9.061 ± 0.003 Å
c	14.743 ± 0.004 Å
α	90°
β	98.556 ± 0.009°
γ	90°
Cell volume	892.2 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0995
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	0.793
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
300778 (current)	2025-07-06	cif/ Updating files of 7718575, 7718576 Original log message: Adding full bibliography for 7718575--7718576.cif.	7718575.cif
299453	2025-04-30	cif/ Adding structures of 7718575, 7718576 via cif-deposit CGI script.	7718575.cif