Information card for entry 2236029

Structure parameters

• Chemical name: (Ethanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2- oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)
• Formula: C17 H17 N2 O6 V
• Calculated formula: C17 H17 N2 O6 V
• SMILES: [V]12(Oc3c(cccc3OC)C=[N]2N=C(O1)c1c(O)cccc1)(=O)OCC
• Title of publication: (Ethanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)
• Authors of publication: Chen, Xiao-Hua; Wu, Qiong-Jie; Chen, Li-Juan; Yang, Ming-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1101 - m1102
• a: 15.808 ± 0.005 Å
• b: 6.606 ± 0.002 Å
• c: 16.693 ± 0.008 Å
• α: 90°
• β: 94.107 ± 0.016°
• γ: 90°
• Cell volume: 1738.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes