Information card for entry 7013846

Structure parameters

• Chemical name: Tetrabutylammonium Bis(3-hydroxypicolinato)-oxo-monoperoxovanadate(V)
• Formula: C28 H44 N3 O9.25 V
• Calculated formula: C28 H44 N3 O9.236 V
• Title of publication: Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.
• Authors of publication: Casny, Marian; Rehder, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 839 - 846
• a: 12.553 ± 0.003 Å
• b: 17.634 ± 0.004 Å
• c: 14.037 ± 0.004 Å
• α: 90°
• β: 93.5 ± 0.005°
• γ: 90°
• Cell volume: 3101.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No