Crystallography Open Database

Information card for entry 7052658

Preview

Coordinates	7052658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78.2 Cl6 Cu8 N12 O29.1 Y2
Calculated formula	C60 H52 Cl6 Cu8 N12 O16 Y2
Title of publication	Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)
Authors of publication	Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1270
a	16.5041 ± 0.0016 Å
b	19.2258 ± 0.0018 Å
c	45.343 ± 0.004 Å
α	90°
β	96.87 ± 0.002°
γ	90°
Cell volume	14284 ± 2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for all reflections	0.2221
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.0438
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052658.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052658.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052658.cif
23559	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052655, 7052656, 7052657, 7052658 via cif-deposit CGI script.	7052658.cif