Information card for entry 7109483

Structure parameters

• Formula: C82 H89 N O12 U
• Calculated formula: C82 H89 N O12 U
• Title of publication: Uranyl ion coordination with rigid aromatic carboxylates and structural characterization of their complexes
• Authors of publication: Aaron C. Sather; Orion B. Berryman; Curtis E. Moore; Julius Rebek
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6379
• a: 14.2622 ± 0.0012 Å
• b: 18.6958 ± 0.0015 Å
• c: 26.384 ± 0.002 Å
• α: 90°
• β: 93.484 ± 0.003°
• γ: 90°
• Cell volume: 7022.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0246
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No