Information card for entry 7058780

Structure parameters

• Formula: C10 H12 N O7 V
• Calculated formula: C10 H12 N O7 V
• Title of publication: Synthesis, crystal structure, DFT calculations, protein interaction, anticancer potential and bromoperoxidase mimicking activity of oxidoalkoxidovanadium(v) complexes
• Authors of publication: Biswal, Debanjana; Pramanik, Nikhil Ranjan; Drew, Michael G. B.; Jangra, Nancy; Maurya, Mannar R.; Kundu, Mousumi; Sil, Parames C.; Chakrabarti, Syamal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 22.236 ± 0.008 Å
• b: 30.525 ± 0.01 Å
• c: 7.549 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5124 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No