Information card for entry 4317699

Structure parameters

• Formula: C30 H26 N6 O7 V2
• Calculated formula: C30 H26 N6 O7 V2
• SMILES: [V]12(O[V]34(OC(=N[N]3=C(c3c(O4)cccc3)C)c4ccccc4N)=O)(OC(=N[N]2=C(c2c(O1)cccc2)C)c1ccccc1N)=O
• Title of publication: Valence Delocalization in a Mixed-Oxidation Divanadium (IV, V) Complex Electrogenerated from Its Structurally Characterized Divanadium (V) Analogue with a Tridentate (ONO) Ligand
• Authors of publication: Rupam Dinda; Parbati Sengupta; Saktiprosad Ghosh; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1684 - 1688
• a: 7.924 ± 0.0018 Å
• b: 16.211 ± 0.004 Å
• c: 23.381 ± 0.005 Å
• α: 90°
• β: 96.145 ± 0.005°
• γ: 90°
• Cell volume: 2986.2 ± 1.2 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: 0.1065
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No