Information card for entry 2243389

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-4-carbonitrile-κ<i>N</i>)vanadium(IV)
• Formula: C16 H18 N2 O5 V
• Calculated formula: C16 H18 N2 O5 V
• SMILES: C1(=CC(C)=[O][V]2([n]3ccc(C#N)cc3)(O1)(=O)OC(=CC(C)=[O]2)C)C
• Title of publication: Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands
• Authors of publication: Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 826 - 830
• a: 9.193 ± 0.0009 Å
• b: 13.508 ± 0.0009 Å
• c: 13.3651 ± 0.0009 Å
• α: 90°
• β: 99.03 ± 0.003°
• γ: 90°
• Cell volume: 1639.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes