Crystallography Open Database

Information card for entry 7019823

7019822 << 7019823 >> 7019824

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Coordinates	7019823.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5,5-bis(1,2-aminotetrazole
Chemical name	5,5-bis(1,2-aminotetrazole
Formula	C2 H4 N10
Calculated formula	C2 H4 N10
SMILES	n1(nnnc1c1nn(nn1)N)N
Title of publication	Amination of energetic anions: high-performing energetic materials.
Authors of publication	Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9451 - 9459
a	10.2063 ± 0.0003 Å
b	6.2946 ± 0.0002 Å
c	19.7287 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1267.46 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019823.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019823.cif
64322	2012-08-12	cif/ Adding structures of 7019818, 7019819, 7019820, 7019821, 7019822, 7019823 via cif-deposit CGI script.	7019823.cif