Information card for entry 7044844

Structure parameters

• Formula: C19 H19 N5 O5 V
• Calculated formula: C19 H19 N5 O5 V
• SMILES: [V]12(=O)(OC(=O)c3cccc([n]13)C(=O)O2)([n]1ccn(c1)CC=C)[n]1ccn(c1)CC=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: 22.8084 ± 0.0016 Å
• b: 7.7189 ± 0.0005 Å
• c: 23.1109 ± 0.0019 Å
• α: 90°
• β: 96.434 ± 0.007°
• γ: 90°
• Cell volume: 4043.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No