Crystallography Open Database

Information card for entry 4103161

Preview

Coordinates	4103161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cu F12 N4 O6
Calculated formula	C28 H30 Cu F12 N4 O6
Title of publication	Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance
Authors of publication	Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13886 - 13891
a	10.0757 ± 0.0018 Å
b	13.044 ± 0.002 Å
c	13.736 ± 0.003 Å
α	99.469 ± 0.003°
β	103.364 ± 0.002°
γ	105.094 ± 0.002°
Cell volume	1646.6 ± 0.5 Å³
Cell temperature	60 ± 2 K
Ambient diffraction temperature	60 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
178777 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31.	4103161.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103161.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103161.cif
26116	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103161 via cif-deposit CGI script.	4103161.cif