Crystallography Open Database

Information card for entry 7001171

Preview

Coordinates	7001171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 F9 Li2 N5 O11 S3 U
Calculated formula	C28 H25 F9 Li2 N5 O11 S3 U
Title of publication	Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions
Authors of publication	Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3478 - 3494
a	21.6519 ± 0.0004 Å
b	21.3781 ± 0.0006 Å
c	19.073 ± 0.0005 Å
α	90°
β	111.162 ± 0.002°
γ	90°
Cell volume	8233.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0446
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179708 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/11.	7001171.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001171.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001171.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001171.cif