Information card for entry 4332928

Structure parameters

• Chemical name: Ph~4~P[p-tert-butyl-calix[4]arene tetrahydroxylato oxovanadate(V)]
• Formula: C69 H74 Cl2 O5 P V
• Calculated formula: C69 H74 Cl2 O5 P V
• 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: 12.763 ± 0.003 Å
• b: 12.763 ± 0.003 Å
• c: 18.722 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No