Information card for entry 2229266

Structure parameters

• Chemical name: (2,2'-Bipyridine)(pyridine-2,6-dicarboxylato)oxidovanadium(IV) ethanol monosolvate
• Formula: C19 H17 N3 O6 V
• Calculated formula: C19 H17 N3 O6 V
• SMILES: [V]123(OC(=O)c4[n]3c(ccc4)C(=O)O1)(=O)[n]1ccccc1c1[n]2cccc1.CCO
• Title of publication: (2,2'-Bipyridine)(pyridine-2,6-dicarboxylato)oxidovanadium(IV) ethanol monosolvate
• Authors of publication: Aghabozorg, Hossein; Tavakoli, Elnaz; Mirzaei, Masoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m248 - m249
• a: 23.246 ± 0.002 Å
• b: 11.2179 ± 0.001 Å
• c: 13.944 ± 0.0016 Å
• α: 90°
• β: 97.247 ± 0.009°
• γ: 90°
• Cell volume: 3607.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes