Information card for entry 7021835

Structure parameters

• Formula: C14 H9 N2 O7 V
• Calculated formula: C14 H9 N2 O7 V
• SMILES: [V]123(ONC(=[O]1)c1ccccc1)(OC(=O)c1cccc(C(=O)O2)[n]31)=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: 16.929 ± 0.0013 Å
• b: 11.0728 ± 0.0009 Å
• c: 15.1442 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2838.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No