Crystallography Open Database

Information card for entry 7203378

7203377 << 7203378 >> 7203379

Preview

Coordinates	7203378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Cu K2 O11
Calculated formula	C6 H4 Cu K2 O11
SMILES	C1(=O)CC(=O)O[Cu]2(O1)OC(=O)CC(=O)O2.[K+].[K+].O.O.O
Title of publication	Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion
Authors of publication	Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	507
a	7.3985 ± 0.0007 Å
b	18.83 ± 0.002 Å
c	9.3201 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1298.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.059
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180364 (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 7/20/33.	7203378.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203378.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203378.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.	7203378.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203378.cif