Crystallography Open Database

Information card for entry 4103159

Preview

Coordinates	4103159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H33 Cu F12 N4 O6
Calculated formula	C27.5 H33 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	10.858 ± 0.002 Å
b	13.071 ± 0.003 Å
c	13.421 ± 0.003 Å
α	98.01 ± 0.03°
β	114.7 ± 0.03°
γ	95.4 ± 0.03°
Cell volume	1688.9 ± 0.8 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 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	0.0437
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103159.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103159.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103159.cif
26114	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103159 via cif-deposit CGI script.	4103159.cif