Information card for entry 4500832

Structure parameters

• Formula: C58 H98 N26 O40 U4
• Calculated formula: C58 H94 N26 O40 U4
• 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: 13.8427 ± 0.0004 Å
• b: 10.8346 ± 0.0006 Å
• c: 27.9882 ± 0.0015 Å
• α: 90°
• β: 97.554 ± 0.003°
• γ: 90°
• Cell volume: 4161.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0872
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No