Information card for entry 7010462

Structure parameters

• Formula: C76 H106 N2 O8
• Calculated formula: C74.75 H76 N1.5 O8
• Title of publication: Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 867
• a: 20.8354 ± 0.0019 Å
• b: 10.1184 ± 0.0006 Å
• c: 32.3655 ± 0.0027 Å
• α: 90°
• β: 91.815 ± 0.003°
• γ: 90°
• Cell volume: 6819.9 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.275
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.3044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No