Information card for entry 7116857

Structure parameters

• Formula: C74 H88 Al N9 O3 U
• Calculated formula: C74 H88 Al N9 O3 U
• Title of publication: Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination
• Authors of publication: Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5876
• a: 12.5004 ± 0.0002 Å
• b: 40.0423 ± 0.0006 Å
• c: 14.2199 ± 0.0002 Å
• α: 90°
• β: 105.173 ± 0.002°
• γ: 90°
• Cell volume: 6869.57 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No