Crystallography Open Database

Information card for entry 4303345

Preview

Coordinates	4303345.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bariumtetrazol-5-carboxylate
Formula	C2 H6 Ba N4 O5
Calculated formula	C2 H6 Ba N4 O5
Title of publication	Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations
Authors of publication	Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9549 - 9556
a	6.6773 ± 0.0002 Å
b	11.4639 ± 0.0004 Å
c	10.0846 ± 0.0003 Å
α	90°
β	90.856 ± 0.003°
γ	90°
Cell volume	771.87 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0266
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
179071 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/33.	4303345.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303345.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303345.cif