Crystallography Open Database

Information card for entry 4335158

Preview

Coordinates	4335158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F5 K
Calculated formula	F5 K
SMILES	[K+].[F-].F.F.F.F
Title of publication	Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN
Authors of publication	Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6806 - 6819
a	6.287 ± 0.005 Å
b	6.287 ± 0.005 Å
c	12.937 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	511.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
179454 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51.	4335158.cif
101065	2014-02-10	cif/ Adding structures of 4335158 via cif-deposit CGI script.	4335158.cif