Information card for entry 7043640

Structure parameters

• Formula: C18 H18 N3 O4 V
• Calculated formula: C18 H18 N3 O4 V
• SMILES: [V]12([N](N=C(O2)c2c(N)cccc2)=C(C=C(O1)c1ccccc1)C)(=O)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: 18.773 ± 0.007 Å
• b: 11.663 ± 0.005 Å
• c: 7.923 ± 0.003 Å
• α: 90°
• β: 90.88 ± 0.01°
• γ: 90°
• Cell volume: 1734.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No