Information card for entry 4500831

Structure parameters

• Formula: C58 H92 N26 O37 U4
• Calculated formula: C58 H86 N26 O37 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: 10.8119 ± 0.0003 Å
• b: 13.8031 ± 0.0003 Å
• c: 15.1715 ± 0.0004 Å
• α: 72.374 ± 0.001°
• β: 86.505 ± 0.001°
• γ: 89.934 ± 0.002°
• Cell volume: 2153.5 ± 0.1 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: 0.049
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No