Crystallography Open Database

Information card for entry 4307099

Preview

Coordinates	4307099.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pr(DMSO)4(H2O)3Fe(CN)6.H2O
Chemical name	Pr(DMSO)4(H2O)3Fe(CN)6.H2O
Formula	C14 H32 Fe N6 O8 Pr S4
Calculated formula	C14 H4 Fe N6 O8 Pr S3.997
Title of publication	Self-Assembly and Characterization of Cyano-Bridged Bimetallic [Ln-Fe] and [Ln-Co] Complexes (Ln = La, Pr, Nd and Sm). Nature of the Magnetic Interactions between the Ln3+ and Fe3+ Ions
Authors of publication	Wen-Tong Chen; Guo-Cong Guo; Ming-Sheng Wang; Gang Xu; Li-Zhen Cai; Takashiro Akitsu; Motoko Akita-Tanaka; Akiyuki Matsushita; Jin-Shun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2105 - 2114
a	14.917 ± 0.003 Å
b	13.701 ± 0.003 Å
c	15.386 ± 0.003 Å
α	90°
β	108.384 ± 0.004°
γ	90°
Cell volume	2984.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179108 (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 4/30/70.	4307099.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.	4307099.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"	4307099.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307099.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307099.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' ) &	4307099.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.	4307099.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307099.cif