Information card for entry 7043641

Structure parameters

• Formula: C34 H30 N6 O4 V
• Calculated formula: C34 H30 N6 O4 V
• SMILES: [V]1234([N](N=C(O2)c2c(N)cccc2)=C(C=C(O1)c1ccccc1)C)[N](N=C(O4)c1c(N)cccc1)=C(C=C(O3)c1ccccc1)C
• 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: 27.4802 ± 0.0012 Å
• b: 10.0832 ± 0.0004 Å
• c: 23.3528 ± 0.0011 Å
• α: 90°
• β: 111.094 ± 0.005°
• γ: 90°
• Cell volume: 6037.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No