Crystallography Open Database

Information card for entry 4103810

Preview

Coordinates	4103810.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	potassium 5-azdotetrazolate
Chemical name	potassium 5-azidotetrazolate
Formula	C K N7
Calculated formula	C K N7
SMILES	[n-]1nnnc1N=N#N.[K+]
Title of publication	The CN~7~^-^ anion
Authors of publication	Klapötke, Thomas M.; Stierstorfer, Jörg
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Journal issue	3
Pages of publication	1122 - 1134
a	9.7759 ± 0.0009 Å
b	6.299 ± 0.0006 Å
c	8.4533 ± 0.0006 Å
α	90°
β	96.72 ± 0.008°
γ	90°
Cell volume	516.96 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	200 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	0.0452
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
210875 (current)	2018-09-12	cif/4/ Updating bibliography in entries 4103803-4103811, 4121907. Marking entry 4121907 as a duplicate of entry 4103807.	4103810.cif
178784	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38.	4103810.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103810.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103810.cif
28285	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103810 via cif-deposit CGI script.	4103810.cif