Information card for entry 4332926

Structure parameters

• Chemical name: Dimethoxo-dioxo-m-oxo[1,3-dimethyl-p-tert-butyl-calix[4] aren-dihydroxylato]divanadium(V)
• Formula: C48 H64 O9 V2
• Calculated formula: C48 H64 O9 V2
• Title of publication: Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts
• Authors of publication: Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8308 - 8317
• a: 20.4465 ± 0.0015 Å
• b: 11.381 ± 0.0016 Å
• c: 20.2634 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4715.3 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No