Crystallography Open Database

Information card for entry 1515046

Preview

Coordinates	1515046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H28 Cr Dy2 F38 N5 O16
Calculated formula	C50 H28 Cr Dy2 F38 N5 O16
Title of publication	Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster
Authors of publication	Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1024
a	26.3208 ± 0.0013 Å
b	15.7874 ± 0.0015 Å
c	18.718 ± 0.003 Å
α	90°
β	115.474 ± 0.009°
γ	90°
Cell volume	7021.8 ± 1.5 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515046.cif
110850	2014-04-20	cif/ Adding structures of 1515046, 1515047 via cif-deposit CGI script.	1515046.cif