Information card for entry 2214566

Structure parameters

• Chemical name: Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate
• Formula: C8 H5 K N O9 V
• Calculated formula: C8 H5 K N O9 V
• SMILES: [V]12(OC(=O)c3[n]2c(cc(c3)C(=O)O)C(=O)O1)(=O)=O.[K+].O
• Title of publication: Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate
• Authors of publication: Holder, Alvin A.; VanDerveer, Don
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2051 - m2052
• a: 7.8086 ± 0.0016 Å
• b: 16.342 ± 0.003 Å
• c: 18.316 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2337.3 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes