Crystallography Open Database

Information card for entry 4121907

4121906 << 4121907 >> 4121908

Preview

Coordinates	4121907.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	guanidinium 5-azidotetrazolate
Chemical name	guanidinium 5-azidotetrazolate
Formula	C2 H7 N10 O0.5
Calculated formula	C2 H7 N10 O0.5
SMILES	[n-]1c(N=N#N)nnn1.NC(=[NH2+])N.O
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	9.5374 ± 0.0008 Å
b	15.312 ± 0.0009 Å
c	10.5731 ± 0.0006 Å
α	90°
β	94.361 ± 0.007°
γ	90°
Cell volume	1539.59 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1619
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4103807
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.	4121907.cif
179021	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121907.cif
153466	2015-08-16	cif/4 Fixing some Z values and formulae	4121907.cif
114785	2014-05-29	cif/ Adding structures of 4121907 via cif-deposit CGI script.	4121907.cif