Crystallography Open Database

Information card for entry 7052928

Preview

Coordinates	7052928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N6
Calculated formula	C4 H8 N6
SMILES	n1nnn(N=C(C)C)c1N
Title of publication	1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound
Authors of publication	Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	10
Pages of publication	1953
a	7.533 ± 0.003 Å
b	7.408 ± 0.002 Å
c	12.029 ± 0.004 Å
α	90°
β	96.629 ± 0.004°
γ	90°
Cell volume	666.8 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
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	0.0645
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
180083 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/29.	7052928.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052928.cif
71678	2013-01-20	cif/ Adding structures of 7052926, 7052927, 7052928 via cif-deposit CGI script.	7052928.cif