Crystallography Open Database

Information card for entry 7028235

Preview

Coordinates	7028235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H22 Cl Co Cu N6 O11
Calculated formula	C6 H22 Cl Co Cu N6 O11
SMILES	[Cu]12(OC(=O)C(O)C(=O)O1)(OC(=O)C(O)C(=O)O2)Cl.O.[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3]
Title of publication	The coordination chemistry of tartronic acid with copper: magnetic studies of a quasi-equilateral tricopper triangle.
Authors of publication	Pascu, Gabriel; Deville, Claire; Clifford, Sarah E.; Guenée, Laure; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.; Williams, Alan F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	656 - 662
a	13.2165 ± 0.0013 Å
b	9.0119 ± 0.001 Å
c	14.5162 ± 0.0016 Å
α	90°
β	91.457 ± 0.012°
γ	90°
Cell volume	1728.4 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for all reflections	0.0633
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.1777
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028235.cif
105256	2014-03-12	cif/ Adding structures of 7028235, 7028236, 7028237 via cif-deposit CGI script.	7028235.cif