Information card for entry 4500838

Structure parameters

• Formula: C102 H162 N26 O66 Sr2 U8
• Calculated formula: C102 H150 N26 O66 Sr2 U8
• 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: 10.9467 ± 0.0004 Å
• b: 17.8697 ± 0.0008 Å
• c: 18.8015 ± 0.0008 Å
• α: 95.149 ± 0.002°
• β: 99.457 ± 0.003°
• γ: 90.872 ± 0.003°
• Cell volume: 3611.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No