Crystallography Open Database

Information card for entry 4335159

Preview

Coordinates	4335159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H27 F3 N3 O10 Re3
Calculated formula	C10 H27 F3 N3 O10 Re3
SMILES	[Re]12([F][Re]3([F][Re]([F]1)([O]23)(=O)(=O)=O)(=O)(=O)=O)(=O)(=O)=O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.N#CC
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	9.1792 ± 0.0005 Å
b	20.3457 ± 0.0012 Å
c	14.3432 ± 0.0006 Å
α	90°
β	124.301 ± 0.002°
γ	90°
Cell volume	2212.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0514
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4335159.cif
101066	2014-02-10	cif/ Adding structures of 4335159 via cif-deposit CGI script.	4335159.cif