Crystallography Open Database

Information card for entry 7217312

Preview

Coordinates	7217312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H31 Fe N6 O14 Ta
Calculated formula	C44 H31 Fe N6 O14 Ta
SMILES	c1ccc2ccc3ccc[n]4c3c2[n]1[Fe]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.C(C)O[Ta]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O
Title of publication	New Fe-Ta and Co-Ta oxalate complexes: structural characterization and thermal behaviour ‒ formation of mixed-metal oxides
Authors of publication	Androš, Lidija; Juric, Marijana; Popović, Jasminka; Planinic, Pavica
Journal of publication	RSC Advances
Year of publication	2014
a	11.424 ± 0.005 Å
b	12.763 ± 0.005 Å
c	15.546 ± 0.005 Å
α	108.799 ± 0.005°
β	92.492 ± 0.005°
γ	108.397 ± 0.005°
Cell volume	2009.3 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54179 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180504 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/73.	7217312.cif
121098	2014-08-02	cif/ Adding structures of 7217311, 7217312 via cif-deposit CGI script.	7217312.cif