Information card for entry 7238963

Structure parameters

• Formula: C72 H160 Cl2 Dy2 O58 V12
• Calculated formula: C64 H144 Cl2 Dy2 O56 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: 22.833 ± 0.002 Å
• b: 22.833 ± 0.002 Å
• c: 25.201 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13138 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2008
• 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 Fobs: No