Information card for entry 2010611

Structure parameters

• Chemical name: Bis(tetra-n-butylammonium) Bis[μ-2-hydroxy-2-phenyl- ethanoato(2-)]-bis[oxomonoperoxovanadate(V)]
• Formula: C56 H92 N2 O15 V2
• Calculated formula: C56 H92 N2 O15 V2
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate
• Authors of publication: Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 154 - 155
• a: 19.657 ± 0.012 Å
• b: 17.066 ± 0.003 Å
• c: 17.67 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5928 ± 4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.098
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes