Crystallography Open Database

Information card for entry 7000320

Preview

Coordinates	7000320.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tricaesium mu-fluoro-mu-peroxo-bis(fluorooxodiperoxovanadate(V)) hydrogenfluoride disolvate monohydrate
Formula	Cs3 F5 H4 O9 V2
Calculated formula	Cs3 F5 H4 O9 V2
Title of publication	Dinuclear fluoro-peroxovanadium(v) complexes with symmetric and asymmetric peroxo bridges: syntheses, structures and DFT studies
Authors of publication	Chrappová, Jana; Schwendt, Peter; Sivák, Michal; Repiský, Michal; Malkin, Vladimir G.; Marek, Jaromír
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	3
Pages of publication	465 - 473
a	12.695 ± 0.002 Å
b	8.7388 ± 0.0009 Å
c	13.9833 ± 0.001 Å
α	90°
β	113.041 ± 0.013°
γ	90°
Cell volume	1427.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.355
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
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000320.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000320.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000320.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000320.cif