Information card for entry 7222990

Structure parameters

• Formula: C25 H20 N3 O6 V
• Calculated formula: C25 H20 N3 O6 V
• SMILES: [V]123([n]4c5c(cccc5O1)ccc4)(=O)Oc1c(cc(cc1)OC)C(C)=[N]2N=C(c1ccccc1O)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: 7.668 ± 0.003 Å
• b: 14.153 ± 0.006 Å
• c: 21.853 ± 0.01 Å
• α: 90°
• β: 96.86 ± 0.006°
• γ: 90°
• Cell volume: 2354.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1241
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No