Information card for entry 4332925

Structure parameters

• Chemical name: Ph~4~P[p-tert-butyl-calix[8]arene heptahydroxylato dioxodivanadate(V)]
• Formula: C126 H146 N7 O10 P V2
• Calculated formula: C126 H146 N7 O10 P 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: 17.0125 ± 0.0003 Å
• b: 28.8155 ± 0.0007 Å
• c: 23.6724 ± 0.0004 Å
• α: 90°
• β: 99.119 ± 0.001°
• γ: 90°
• Cell volume: 11458.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No