Information card for entry 2243390

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methoxypyridine-κ<i>N</i>)oxidovanadium(IV)
• Formula: C16 H21 N O6 V
• Calculated formula: C16 H21 N O6 V
• SMILES: [V]12(=O)([O]=C(C=C(O1)C)C)(OC(=CC(=[O]2)C)C)[n]1ccc(OC)cc1
• 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: 9.6619 ± 0.0015 Å
• b: 11.9922 ± 0.0019 Å
• c: 15.344 ± 0.002 Å
• α: 90°
• β: 94.651 ± 0.002°
• γ: 90°
• Cell volume: 1772 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0806
• 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: No
• Has Fobs: Yes