Information card for entry 2208019

Structure parameters

• Chemical name: Dioxo(pyridine-2-carboxylato)(pyridinium-2-carboxylato)vanadium(V) monohydrate
• Formula: C12 H11 N2 O7 V
• Calculated formula: C12 H11 N2 O7 V
• SMILES: [V]1(OC(=O)c2cccc[nH+]2)(OC(=O)c2[n]1cccc2)(=O)=O.O
• Title of publication: Dioxo(pyridine-2-carboxylato)(pyridinium-2-carboxylato)vanadium(V) monohydrate
• Authors of publication: Khoon, Lim Eng; Guan, Teoh Siang; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m207 - m209
• a: 7.3392 ± 0.0015 Å
• b: 7.4413 ± 0.0016 Å
• c: 14.592 ± 0.003 Å
• α: 97.745 ± 0.003°
• β: 94.787 ± 0.003°
• γ: 118.655 ± 0.003°
• Cell volume: 682.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.092
• 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