Information card for entry 4103773

Structure parameters

• Formula: C13 H15 N O6 V
• Calculated formula: C13 H15 N O7 V
• SMILES: [V]123(OC(=O)c4[n]3c(ccc4)C(=O)O1)([OH]C(C(O2)(C)C)(C)C)=O
• Title of publication: Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)
• Authors of publication: Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 428 - 429
• a: 6.2898 ± 0.0013 Å
• b: 16.096 ± 0.003 Å
• c: 14.357 ± 0.003 Å
• α: 90°
• β: 90.204 ± 0.003°
• γ: 90°
• Cell volume: 1453.5 ± 0.5 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No