Information card for entry 2234229

Structure parameters

• Chemical name: {2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)
• Formula: C13 H17 N2 O3 V
• Calculated formula: C13 H17 N2 O3 V
• SMILES: [V]12([N](=Cc3c(O2)cccc3)[C@H]2[C@@H]([NH2]1)CCCC2)(=O)=O.[V]12([N](=Cc3c(O2)cccc3)[C@@H]2[C@H]([NH2]1)CCCC2)(=O)=O
• Title of publication: {2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)
• Authors of publication: Sun, Xin-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m476
• a: 19.12 ± 0.009 Å
• b: 19.12 ± 0.009 Å
• c: 15.421 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5638 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes