Information card for entry 7238964

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 ų
• 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 Fobs: No