Information card for entry 7021836

Structure parameters

• Formula: C20 H13 N2 O7 V
• Calculated formula: C20 H13 N2 O7 V
• SMILES: [V]123([O]=C(N(O1)c1ccccc1)c1ccccc1)(OC(=O)c1[n]3c(ccc1)C(=O)O2)=O
• Title of publication: Synthesis, structural characterization, VHPO mimicking peroxidative bromination and DNA nuclease activity of oxovanadium(v) complexes.
• Authors of publication: Patra, Swarup; Chatterjee, Suparna; Si, Tapan Kr; Mukherjea, Kalyan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13425 - 13435
• a: 12.3056 ± 0.0003 Å
• b: 6.0449 ± 0.0002 Å
• c: 26.4794 ± 0.0006 Å
• α: 90°
• β: 102.664 ± 0.002°
• γ: 90°
• Cell volume: 1921.78 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No