Information card for entry 2010953

Structure parameters

• Formula: C22 H24 N2 O8 V
• Calculated formula: C22 H24 N2 O8 V
• SMILES: [V]123(=O)Oc4c(C(=O)O)cccc4C=[N]2C(C)(C)C([N]3=Cc2cccc(C(=O)O)c2O1)(C)C.O
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate
• Authors of publication: Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e199 - e200
• a: 10.508 ± 0.003 Å
• b: 11.728 ± 0.002 Å
• c: 9.726 ± 0.002 Å
• α: 107.66 ± 0.02°
• β: 96.21 ± 0.02°
• γ: 100.45 ± 0.02°
• Cell volume: 1106 ± 0.5 ų
• Cell temperature: 298 ± 1 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No