Crystallography Open Database

Information card for entry 7202890

7202889 << 7202890 >> 7202891

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Coordinates	7202890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H38 N4 S8
Calculated formula	C144 H38 N4 S8
Title of publication	Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	39
Pages of publication	4171
a	17.218 ± 0.0004 Å
b	19.362 ± 0.0009 Å
c	24.373 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8125.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.1417
Residual factor for significantly intense reflections	0.1142
Weighted residual factors for significantly intense reflections	0.3194
Weighted residual factors for all reflections included in the refinement	0.3478
Goodness-of-fit parameter for all reflections included in the refinement	1.393
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
180359 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/28.	7202890.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202890.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202890.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.	7202890.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202890.cif