Crystallography Open Database

Information card for entry 4302009

4302008 << 4302009 >> 4302010

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Coordinates	4302009.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Tb(H2O)4(C6NO2H4)2]n.nCl
Chemical name	[Tb(H2O)4(C6NO2H4)2]n.nCl
Formula	C12 H16 Cl N2 O8 Tb
Calculated formula	C12 H12 Cl N2 O8 Tb
Title of publication	Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
Authors of publication	Wentong Chen; Shunichi Fukuzumi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3800 - 3807
a	8.869 ± 0.002 Å
b	19.589 ± 0.004 Å
c	10.001 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1737.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179058 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/20.	4302009.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4302009.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"	4302009.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302009.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302009.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' ) &	4302009.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.	4302009.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302009.cif