Information card for entry 2235504

Structure parameters

• Chemical name: (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)
• Formula: C15 H22 N O6 V
• Calculated formula: C15 H22 N O6 V
• SMILES: [V]12([N]([C@H](C(=O)O1)[C@H](CC)C)=Cc1c(O2)cccc1)(=O)([OH]C)OC
• Title of publication: (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)
• Authors of publication: Wang, Chengyuan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m982
• a: 6.6148 ± 0.0009 Å
• b: 18.463 ± 0.002 Å
• c: 29.286 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3576.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes