Crystallography Open Database

Information card for entry 7020063

7020062 << 7020063 >> 7020064

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Coordinates	7020063.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	barium 5,5-azoxybistetrazolate pentahydrate
Formula	C2 H10 Ba N10 O6
Calculated formula	C2 H10 Ba N10 O6
Title of publication	5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.
Authors of publication	Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	36
Pages of publication	11201 - 11211
a	5.7898 ± 0.0003 Å
b	14.9314 ± 0.0007 Å
c	7.0531 ± 0.0003 Å
α	90°
β	101.949 ± 0.003°
γ	90°
Cell volume	596.53 ± 0.05 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	7020063.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020063.cif
66535	2012-09-11	cif/ Adding structures of 7020063, 7020064, 7020065, 7020066, 7020067, 7020068 via cif-deposit CGI script.	7020063.cif