Information card for entry 4319221

Structure parameters

• Formula: C14 H17 N2 O5 V
• Calculated formula: C14 H17 N2 O5 V
• SMILES: [V]12(=O)(OC(=N[N]2=C(C=C(O1)C)C)c1c(O)cccc1)OCC
• Title of publication: Square Pyramidal Dialkoxo-Bound Monooxo-Vanadium(V) Complex and Its Behavior in Solution
• Authors of publication: Mooshin Moon; Myoungho Pyo; Young Chan Myoung; Chong Il Ahn; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 554 - 557
• a: 10.421 ± 0.0002 Å
• b: 15.0591 ± 0.0003 Å
• c: 10.7892 ± 0.0001 Å
• α: 90°
• β: 114.309 ± 0.001°
• γ: 90°
• Cell volume: 1543.04 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No