Information card for entry 7044845

Structure parameters

• Formula: C15 H15 N5 O5 V
• Calculated formula: C15 H15 N5 O5 V
• SMILES: [V]12(=O)(OC(=O)c3cccc([n]13)C(=O)O2)([n]1cn(cc1)C)[n]1cn(cc1)C
• 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: 8.8853 ± 0.001 Å
• b: 11.7493 ± 0.0009 Å
• c: 16.917 ± 0.0016 Å
• α: 88.699 ± 0.007°
• β: 82.542 ± 0.008°
• γ: 86.201 ± 0.007°
• Cell volume: 1747.1 ± 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: 0.1285
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No