Information card for entry 2229096

Structure parameters

• Chemical name: (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)phenylalaninato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)
• Formula: C18 H20 N O6 V
• Calculated formula: C18 H20 N O6 V
• SMILES: [V]12(=O)(OC(=O)[C@@H]([N]2=Cc2ccccc2O1)Cc1ccccc1)([OH]C)OC
• Title of publication: (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)phenylalaninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)
• Authors of publication: Bian, Lin; Li, Lianzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m274
• a: 14.3095 ± 0.0015 Å
• b: 18.782 ± 0.002 Å
• c: 6.6986 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes