Information card for entry 7109482

Structure parameters

• Formula: C88 H87 Cl5 N O11 U
• Calculated formula: C88 H87 Cl5 N O11 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: 19.6677 ± 0.0009 Å
• b: 18.8428 ± 0.0009 Å
• c: 22.6324 ± 0.001 Å
• α: 90°
• β: 109.593 ± 0.002°
• γ: 90°
• Cell volume: 7901.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No