Crystallography Open Database

Information card for entry 7710725

Preview

Coordinates	7710725.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,5-diaminotetrazolium nitrate
Chemical name	2,5-diaminotetrazolium nitrate
Formula	C H5 N7 O3
Calculated formula	C H5 N7 O3
SMILES	n1c([nH+]nn1N)N.O=N(=O)[O-]
Title of publication	Chemistry of 2,5-diaminotetrazole.
Authors of publication	Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	10.8782 ± 0.001 Å
b	10.6236 ± 0.0008 Å
c	11.546 ± 0.0011 Å
α	90°
β	113.414 ± 0.011°
γ	90°
Cell volume	1224.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
276835 (current)	2022-07-23	cif/ Adding structures of 7710723, 7710724, 7710725, 7710726, 7710727, 7710728, 7710729, 7710730, 7710731, 7710732 via cif-deposit CGI script.	7710725.cif