Information card for entry 7116860

Structure parameters

• Formula: C62 H62 B0 N12 Na O2 U
• Calculated formula: C62 H62 N12 Na O2 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: 14.427 ± 0.005 Å
• b: 24.602 ± 0.005 Å
• c: 23.182 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.881 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8227 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No