Information card for entry 4500834

Structure parameters

• Formula: C52 H76 N25 O33.5 U3
• Calculated formula: C52 H69 N25 O33.5 U3
• Title of publication: Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents
• Authors of publication: Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2606
• a: 12.573 ± 0.0006 Å
• b: 15.38 ± 0.0006 Å
• c: 20.3515 ± 0.0009 Å
• α: 88.261 ± 0.002°
• β: 89.67 ± 0.002°
• γ: 73.475 ± 0.002°
• Cell volume: 3771.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No