Information card for entry 7010464

Structure parameters

• Formula: C53.5 H57.5 N3.5 O14 U2
• Calculated formula: C54 H54 N3 O14 U2
• 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: 11.281 ± 0.0004 Å
• b: 25.6482 ± 0.0016 Å
• c: 17.9607 ± 0.0011 Å
• α: 90°
• β: 98.454 ± 0.003°
• γ: 90°
• Cell volume: 5140.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0891
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No