Information card for entry 1571560

Structure parameters

• Formula: C26 H28 N3 O6 V
• Calculated formula: C26 H28 N3 O6 V
• SMILES: [V]12(Oc3ccccc3C=[N]2c2c(O1)cc1oc(nc1c2)c1ccccc1O)(=O)=O.[NH+](CC)(CC)CC
• Title of publication: Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.
• Authors of publication: Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2024
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1700
• a: 11.978 ± 0.003 Å
• b: 7.588 ± 0.0014 Å
• c: 28.042 ± 0.005 Å
• α: 90°
• β: 101.705 ± 0.018°
• γ: 90°
• Cell volume: 2495.7 ± 0.9 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2748
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.3181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No