Information card for entry 7044843

Structure parameters

• Formula: C13 H11 N5 O5 V
• Calculated formula: C13 H11 N5 O5 V
• SMILES: [V]12(=O)(OC(=O)c3cccc([n]13)C(=O)O2)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes
• Authors of publication: Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 8.1102 ± 0.0013 Å
• b: 14.443 ± 0.002 Å
• c: 13.425 ± 0.002 Å
• α: 90°
• β: 105.226 ± 0.002°
• γ: 90°
• Cell volume: 1517.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No