Information card for entry 2009152

Structure parameters

• Common name: endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)
• Formula: C21 H24 N2 O5 V
• Calculated formula: C21 H24 N2 O5 V
• SMILES: c12c(C=[N]3[V]4([N](C[C@H]3C)=Cc3cccc(OCC)c3O4)(=O)O1)cccc2OCC
• Title of publication: <i>endo</i>-{6,6'-Diethoxy-2,2'-[(<i>R</i>)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxovanadium(IV)
• Authors of publication: Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1812 - 1813
• a: 12.783 ± 0.004 Å
• b: 16.645 ± 0.003 Å
• c: 9.834 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2092.4 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No