Crystallography Open Database

Information card for entry 7103744

Preview

Coordinates	7103744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.5 H43.5 F6 N9.5 O8.5 S2 U
Calculated formula	C60 H41 F6 N9 O8.5 S2 U
Title of publication	A novel coordination geometry for the uranyl ion. Rhombohedral uranium environment in [UO2(OTf)2(bpy)2] and [UO2(phen)3][OTf]2
Authors of publication	Jean-Claude Berthet; Michel Ephritikhine; Martine Nierlich
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
a	35.859 ± 0.007 Å
b	12.269 ± 0.003 Å
c	29.128 ± 0.006 Å
α	90°
β	118.34 ± 0.03°
γ	90°
Cell volume	11279 ± 4 Å³
Cell temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7103744.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7103744.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7103744.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7103744.cif
823	2009-09-25	cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications.	7103744.cif