Information card for entry 7222988

Structure parameters

• Formula: C24 H18 N3 O5 V
• Calculated formula: C24 H18 N3 O5 V
• SMILES: [V]123(=O)(OC(=N[N]1=C(c1ccccc1O2)C)c1ccccc1O)[n]1cccc2cccc(c12)O3
• 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: 13.5975 ± 0.0017 Å
• b: 11.4633 ± 0.0019 Å
• c: 14.148 ± 0.002 Å
• α: 90°
• β: 105.616 ± 0.016°
• γ: 90°
• Cell volume: 2123.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1775
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No