Information card for entry 7116859

Structure parameters

• Formula: C84.47 H84.47 Li0.87 N16.49 O2 U
• Calculated formula: C84.392 H84.392 Li0.8696 N16.4784 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: 14.2782 ± 0.0005 Å
• b: 24.4176 ± 0.0006 Å
• c: 22.8717 ± 0.0007 Å
• α: 90°
• β: 90.634 ± 0.003°
• γ: 90°
• Cell volume: 7973.5 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No