Information card for entry 2231937

Structure parameters

• Chemical name: (4-Bromo-2-{[2-(morpholin-4-yl)ethylimino]methyl}phenolato)dioxidovanadium(V)
• Formula: C13 H16 Br N2 O4 V
• Calculated formula: C13 H16 Br N2 O4 V
• SMILES: [V]12([N](=Cc3c(O2)ccc(Br)c3)CC[N]21CCOCC2)(=O)=O
• Title of publication: (4-Bromo-2-{[2-(morpholin-4-yl)ethylimino]methyl}phenolato)dioxidovanadium(V)
• Authors of publication: Wang, Chen-Yi; Wu, Xiang; Cao, Feng; Yuan, Cai-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1330
• a: 21.372 ± 0.003 Å
• b: 6.0892 ± 0.0015 Å
• c: 11.372 ± 0.003 Å
• α: 90°
• β: 97.248 ± 0.002°
• γ: 90°
• Cell volume: 1468.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes