Information card for entry 7223297

Structure parameters

• Formula: C30 H22 O5 V
• Calculated formula: C30 H22 O5 V
• SMILES: C1(C=C(c2ccccc2)O[V]2([O]=1)(OC(=CC(c1ccccc1)=[O]2)c1ccccc1)=O)c1ccccc1
• Title of publication: A mononuclear diketone-based oxido-vanadium(IV) complex: structure, DNA and BSA binding, molecular docking and anticancer activities against MCF -7, HPG-2, and HT- 29 cell lines
• Authors of publication: Mohamadi, Maryam; Ebrahimipour, S. Yousef; Torkzadeh, Masoud; Foro, Sabine; akbari, Alireza
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.7159 ± 0.0009 Å
• b: 15.199 ± 0.001 Å
• c: 12.9016 ± 0.0009 Å
• α: 90°
• β: 96.743 ± 0.004°
• γ: 90°
• Cell volume: 2476.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No