Crystallography Open Database

Information card for entry 7217145

Preview

Coordinates	7217145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 N22
Calculated formula	C6 H16 N22
SMILES	[n-]1nnnc1NNc1[n-]nnn1.n1(nn[n+](N)c1N)C.n1(nn[n+](N)c1N)C
Title of publication	Bis (1, 5-diamino-4-methyl-tetrazolium) hydrazinetetrazolate: synthesis, structure and energetic properties
Authors of publication	han, zhiyue; zhao, zhihua; du, zhiming; he, chunlin; zhao, linshuang; cong, xiaomin
Journal of publication	RSC Advances
Year of publication	2014
a	5.417 ± 0.0012 Å
b	11.956 ± 0.003 Å
c	24.503 ± 0.006 Å
α	90°
β	92.202 ± 0.003°
γ	90°
Cell volume	1585.8 ± 0.7 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0662
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0992
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217145.cif
120480	2014-07-16	cif/ Adding structures of 7217145 via cif-deposit CGI script.	7217145.cif