Information card for entry 7027498

Structure parameters

• Formula: C244 H268 Cl3 N15 O36 U6
• Calculated formula: C244 H243 Cl3 N15 O36 U6
• Title of publication: Complexation of a hexameric uranium(VI) cluster by p-benzylcalix[7]arene
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Souley, Bahari; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2589 - 2594
• a: 19.969 ± 0.002 Å
• b: 20.071 ± 0.002 Å
• c: 30.876 ± 0.003 Å
• α: 82.306 ± 0.005°
• β: 79.979 ± 0.004°
• γ: 87.709 ± 0.005°
• Cell volume: 12075 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1926
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections: 0.2949
• Weighted residual factors for significantly intense reflections: 0.2058
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No