Crystallography Open Database

Information card for entry 7202388

7202387 << 7202388 >> 7202389

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Coordinates	7202388.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N-Bis(1H-tetrazol-5-yl)amine
Chemical name	N,N-Bis(1H-tetrazol-5-yl)amine
Formula	C2 H3 N9
Calculated formula	C2 H3 N9
SMILES	[nH]1c(Nc2[nH]nnn2)nnn1
Title of publication	Bistetrazolylamines—synthesis and characterization
Authors of publication	Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2008
Journal volume	18
Journal issue	43
Pages of publication	5248
a	11.109 ± 0.002 Å
b	9.2272 ± 0.0018 Å
c	21.327 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2186.1 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 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	0.0645
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180354 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/23.	7202388.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202388.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202388.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202388.cif