Information card for entry 7018938

Structure parameters

• Formula: C20 H17.5 N3 O5.75 V
• Calculated formula: C20 H16 N3 O5.75 V
• Title of publication: Synthesis, structural characterization and catalytic activity of a multifunctional enzyme mimetic oxoperoxovanadium(v) complex
• Authors of publication: Si, Tapan K.; Paul, Shiv S.; Drew, Michael G. B.; Mukherjea, Kalyan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5805
• a: 18.367 ± 0.002 Å
• b: 17.309 ± 0.002 Å
• c: 13.316 ± 0.003 Å
• α: 90°
• β: 108.167 ± 0.016°
• γ: 90°
• Cell volume: 4022.3 ± 1.2 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: 0.1072
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No