Crystallography Open Database

Information card for entry 7019820

7019819 << 7019820 >> 7019821

Preview

Coordinates	7019820.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-amino-5-nitrotetrazole
Chemical name	2-amino-5-nitrotetrazole
Formula	C H2 N6 O2
Calculated formula	C H2 N6 O2
SMILES	O=N(=O)c1nn(N)nn1
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	9.855 ± 0.006 Å
b	8.082 ± 0.004 Å
c	6.059 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	482.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019820.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019820.cif
64322	2012-08-12	cif/ Adding structures of 7019818, 7019819, 7019820, 7019821, 7019822, 7019823 via cif-deposit CGI script.	7019820.cif