Crystallography Open Database

Information card for entry 4306573

Preview

Coordinates	4306573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl3 Eu N4 O3
Calculated formula	C24 H22 Cl3 Eu N4 O3
SMILES	[Eu]12(Cl)([OH2])(Cl)([OH2])([n]3cccc4ccc5c([n]1ccc5)c34)[n]1cccc3ccc4ccc[n]2c4c13.O.[Cl-]
Title of publication	Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data
Authors of publication	Lada N. Puntus; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Jean-Claude G. Bünzli
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11095 - 11107
a	36.2101 ± 0.0006 Å
b	7.6163 ± 0.0001 Å
c	18.0859 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4987.86 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179103 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/65.	4306573.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306573.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306573.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4306573.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306573.cif