Information card for entry 1512807

Structure parameters

• Formula: C20 H20 N4 O11 V2
• Calculated formula: C20 H20 N4 O11 V2
• SMILES: [V]12(Oc3ccc(N(=O)=O)cc3C=[N]2[C@H](CO1)C)(=O)O[V]12(Oc3ccc(N(=O)=O)cc3C=[N]2[C@H](CO1)C)=O
• Title of publication: Chiral oxidovanadium(V) complexes with tridentate Schiff bases derived from S(+)-2-amino-1-propanol: Synthesis, structure, characterization and catalytic activity
• Authors of publication: Grzegorz Romanowski; Tadeusz Lis
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 627 - 634
• a: 8.568 ± 0.003 Å
• b: 11.384 ± 0.004 Å
• c: 11.696 ± 0.004 Å
• α: 90°
• β: 96.06 ± 0.04°
• γ: 90°
• Cell volume: 1134.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No