Crystallography Open Database

Information card for entry 7238964

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Coordinates	7238964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H123 Cl2 Dy2 O53 V12
Calculated formula	C54 H109.5 Cl Dy2 O53 V12
Title of publication	Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters
Authors of publication	Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	18
Pages of publication	6299
a	19.4147 ± 0.0012 Å
b	20.993 ± 0.0013 Å
c	46.517 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	18959 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2224
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
244480 (current)	2019-11-28	cif/ Adding structures of 7238963, 7238964 via cif-deposit CGI script.	7238964.cif