Information card for entry 7222989

Structure parameters

• Formula: C25 H20 N3 O5 V
• Calculated formula: C25 H20 N3 O5 V
• SMILES: C1(=N[N]2=C(c3cc(ccc3O[V]32([n]2cccc4cccc(c24)O3)(=O)O1)C)C)c1ccccc1O
• Title of publication: A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities
• Authors of publication: Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.7713 ± 0.0006 Å
• b: 10.1477 ± 0.0008 Å
• c: 13.3468 ± 0.0009 Å
• α: 74.541 ± 0.007°
• β: 84.262 ± 0.006°
• γ: 73.896 ± 0.007°
• Cell volume: 1099.63 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No