Information card for entry 4134085

Structure parameters

• Formula: C26 H31 F3 K N3 O11 S U
• Calculated formula: C26 H31 F3 K N3 O11 S U
• Title of publication: Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.
• Authors of publication: Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.9299 ± 0.0006 Å
• b: 13.2222 ± 0.0006 Å
• c: 18.4887 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3160.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.99 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No