Crystallography Open Database

Information card for entry 4302423

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Coordinates	4302423.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ce(DMF)6Fe(CN)6
Chemical name	hexakis(N,N-dimethylformamide)Cerium(III) hexacyanoferrate(III)
Formula	C24 H42 Ce Fe N12 O6
Calculated formula	C24 H42 Ce Fe N12 O6
Title of publication	Water-Free Rare Earth-Prussian Blue Type Analogues: Synthesis, Structure, Computational Analysis, and Magnetic Data of {LnIII(DMF)6FeIII(CN)6}∞(Ln = Rare Earths Excluding Pm)
Authors of publication	Duane C. Wilson; Shengming Liu; Xuenian Chen; Edward A. Meyers; Xiaoguang Bao; Andrey V. Prosvirin; Kim R. Dunbar; Christopher M. Hadad; Sheldon G. Shore
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5725 - 5735
a	19.385 ± 0.004 Å
b	9.866 ± 0.002 Å
c	19.434 ± 0.004 Å
α	90°
β	113.13 ± 0.03°
γ	90°
Cell volume	3418 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
179062 (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 4/30/24.	4302423.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"	4302423.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302423.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302423.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' ) &	4302423.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.	4302423.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302423.cif