Information card for entry 7055299

Structure parameters

• Formula: C20 H17 N2 O4 V
• Calculated formula: C20 H17 N2 O4 V
• SMILES: [V]12(=O)(Oc3c(c4ccccc4cc3)C=[N]2N=C(O1)c1ccccc1)OCC
• Title of publication: Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies
• Authors of publication: Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2401
• a: 17.8457 ± 0.0018 Å
• b: 5.9203 ± 0.0005 Å
• c: 18.1622 ± 0.0013 Å
• α: 90°
• β: 110.679 ± 0.008°
• γ: 90°
• Cell volume: 1795.2 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No