Information card for entry 7222991

Structure parameters

• Formula: C24 H17 Cl N3 O5 V
• Calculated formula: C24 H17 Cl N3 O5 V
• SMILES: c12ccc(cc1C(C)=[N]1N=C(c3ccccc3O)O[V]31([n]1c4c(cccc4ccc1)O3)(=O)O2)Cl
• 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: 8.3143 ± 0.0006 Å
• b: 11.3015 ± 0.0007 Å
• c: 12.1012 ± 0.0008 Å
• α: 72.559 ± 0.006°
• β: 84.859 ± 0.006°
• γ: 76.042 ± 0.006°
• Cell volume: 1052.59 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No