Information card for entry 2233742

Structure parameters

• Chemical name: <i>cis</i>-Dioxido[<i>N</i>'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato- κ^3^<i>O</i>,<i>N</i>',<i>O</i>']vanadium(V)
• Formula: C13 H10 N3 O4 V
• Calculated formula: C13 H10 N3 O4 V
• SMILES: [V]12(Oc3ccccc3C=[N]2N=C(O1)c1cc[nH+]cc1)(=O)=O
• Title of publication: <i>cis</i>-Dioxido[<i>N</i>'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']vanadium(V)
• Authors of publication: Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m236
• a: 7.1215 ± 0.0003 Å
• b: 14.5243 ± 0.0006 Å
• c: 11.9233 ± 0.0005 Å
• α: 90°
• β: 94.081 ± 0.003°
• γ: 90°
• Cell volume: 1230.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes