Information card for entry 7058277

Structure parameters

• Formula: C33 H37 N6 O17 V3
• Calculated formula: C33 H35 N6 O17 V3
• Title of publication: Vanadium complexes of different nuclearities in the catalytic oxidation of cyclohexane and cyclohexanol – An experimental and theoretical investigation
• Authors of publication: Sutradhar, M.; Martins, Luísa Margarida; Roy Barman, Tannistha; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17557 - 17570
• a: 11.6728 ± 0.0012 Å
• b: 13.1012 ± 0.0012 Å
• c: 13.9688 ± 0.0012 Å
• α: 98.888 ± 0.005°
• β: 111.434 ± 0.004°
• γ: 92.418 ± 0.005°
• Cell volume: 1953.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No