Crystallography Open Database

Information card for entry 7052927

Preview

Coordinates	7052927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N12
Calculated formula	C8 H12 N12
SMILES	c1(nnnn1N=C(C)C)/N=N/c1nnnn1N=C(C)C
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	8.661 ± 0.003 Å
b	8.102 ± 0.002 Å
c	10.043 ± 0.003 Å
α	90°
β	115.001 ± 0.003°
γ	90°
Cell volume	638.7 ± 0.3 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	0.0498
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	7052927.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052927.cif
71678	2013-01-20	cif/ Adding structures of 7052926, 7052927, 7052928 via cif-deposit CGI script.	7052927.cif