Crystallography Open Database

Information card for entry 4305326

Preview

Coordinates	4305326.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Europium bis(o-phen-1,2-HOPO) complex
Formula	C40 H47.2 Eu N9 O15.6
Calculated formula	C40 H36 Eu N9 O18.99
Title of publication	Aryl-Bridged 1-Hydroxypyridin-2-one: Sensitizer Ligands for Eu(III)
Authors of publication	Anthony D'Aléo; Jide Xu; Evan G. Moore; Christoph J. Jocher; Kenneth N. Raymond
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6109 - 6111
a	8.7004 ± 0.0017 Å
b	15.211 ± 0.003 Å
c	18.091 ± 0.004 Å
α	109.74 ± 0.03°
β	94.47 ± 0.03°
γ	97.58 ± 0.03°
Cell volume	2214.5 ± 0.9 Å³
Cell temperature	139 ± 2 K
Ambient diffraction temperature	139 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305326.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4305326.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305326.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305326.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4305326.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.	4305326.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305326.cif