Information card for entry 7043638

Structure parameters

• Formula: C34 H30 N6 O7 V2
• Calculated formula: C34 H30 N6 O7 V2
• SMILES: [V]12(=O)(OC(=CC(=[N]2N=C(O1)c1c(N)cccc1)C)c1ccccc1)O[V]12(=O)OC(=CC(=[N]2N=C(O1)c1c(N)cccc1)C)c1ccccc1
• 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: 28.5136 ± 0.0002 Å
• b: 12.2629 ± 0.0012 Å
• c: 18.5071 ± 0.0017 Å
• α: 90°
• β: 90.955 ± 0.008°
• γ: 90°
• Cell volume: 6470.3 ± 0.9 ų
• Cell temperature: 99.7 ± 0.4 K
• Ambient diffraction temperature: 99.7 ± 0.4 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: 0.0448
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No