Information card for entry 7044611

Structure parameters

• Formula: C34 H28 N4 O9 V2
• Calculated formula: C34 H28 N4 O9 V2
• SMILES: [V]12([N](=C(C=C(O1)c1ccccc1)C)N=C(c1c(cccc1)O)O2)(=O)O[V]12([N](=C(C=C(O1)c1ccccc1)C)N=C(c1c(cccc1)O)O2)=O
• Title of publication: Exploring the role of substituent in the hydrazone ligand of a family of m-oxidodivanadium(V) hydrazone complexes on structure, DNA binding and anticancer activity
• Authors of publication: Ghosh, Tapas; Patra, Debashis; Paul, Subhabrata; Majumder, Indira; Sepay, Nayim; Bera, Sachinath; Kundu, Rita; Drew, Michael G. B.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 7.3361 ± 0.0019 Å
• b: 9.3756 ± 0.0018 Å
• c: 11.919 ± 0.002 Å
• α: 77.072 ± 0.016°
• β: 77.405 ± 0.019°
• γ: 83.703 ± 0.019°
• Cell volume: 778.2 ± 0.3 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: 0.0962
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No