Information card for entry 7043642

Structure parameters

• Formula: C26 H32 N6 O8 V2
• Calculated formula: C26 H32 N6 O8 V2
• SMILES: [V]12(=O)(OC(=CC(=[N]2N=C(O1)c1c(cccc1)N)C)C)OC
• Title of publication: Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species
• Authors of publication: Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.969 ± 0.003 Å
• b: 12.522 ± 0.003 Å
• c: 20.839 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2862.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No