Information card for entry 2207004

Structure parameters

• Chemical name: (N-vanillylidenetyrosinato-κ^3^O,N,O')(2,2'-bipyridine-κ^2^N,N') oxovanadium(IV) methanol solvate hydrate
• Formula: C28 H29 N3 O8 V
• Calculated formula: C28 H29 N3 O8 V
• SMILES: [V]123(OC(=O)C([N]2=Cc2c(O1)c(OC)ccc2)Cc1ccc(O)cc1)(=O)[n]1ccccc1c1[n]3cccc1.OC.O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')oxo(<i>N</i>-vanillylidenetyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')vanadium(IV) methanol solvate monohydrate
• Authors of publication: Bu-Qin Jing; Lian-Zhi Li; Da-Qi Wang; Tao Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2106 - m2108
• a: 11.574 ± 0.003 Å
• b: 20.21 ± 0.005 Å
• c: 14.919 ± 0.003 Å
• α: 90°
• β: 128.638 ± 0.013°
• γ: 90°
• Cell volume: 2725.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes