Crystallography Open Database

Information card for entry 7203377

7203376 << 7203377 >> 7203378

Preview

Coordinates	7203377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cu Na2 O10
Calculated formula	C6 H8 Cu Na2 O10
SMILES	C1(=O)O[Cu]2(OC(=O)CC(=O)O2)OC(=O)C1.[Na+].O.[Na+].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	6.827 ± 0.001 Å
b	9.517 ± 0.002 Å
c	16.406 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1065.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7203377.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203377.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203377.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203377.cif