Information card for entry 4107441

Structure parameters

• Formula: C53 H85 N O19 V6
• Calculated formula: C52 H80 N O19 V6
• Title of publication: A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)-V(IV) Interactions
• Authors of publication: Christophe Aronica; Guillaume Chastanet; Ekaterina Zueva; Serguei A. Borshch; Juan M. Clemente-Juan; Dominique Luneau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2365 - 2371
• a: 28.885 ± 0.005 Å
• b: 15.613 ± 0.005 Å
• c: 15.789 ± 0.005 Å
• α: 90°
• β: 104.356 ± 0.005°
• γ: 90°
• Cell volume: 6898 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0715
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No