Crystallography Open Database

Information card for entry 7237170

Preview

Coordinates	7237170.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-amino-5H-tetrazole
Chemical name	1-amino-5H-tetrazole
Formula	C H3 N5
Calculated formula	C H3 N5
Title of publication	Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Authors of publication	Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	33
Pages of publication	16257
a	5.0889 ± 0.0003 Å
b	6.5662 ± 0.0005 Å
c	11.1652 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	373.08 ± 0.04 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
237469 (current)	2019-11-24	cif/ Adding structures of 7237167, 7237168, 7237169, 7237170, 7237171, 7237172, 7237173, 7237174, 7237175, 7237176, 7237177, 7237178, 7237179, 7237180, 7237181, 7237182, 7237183, 7237184, 7237185, 7237186 via cif-deposit CGI script.	7237170.cif