Information card for entry 7122066

Structure parameters

• Formula: C192 H200 N24 O32 U4
• Calculated formula: C192 H200 N24 O32 U4
• Title of publication: Uranyl dication mediated photoswitching of a calix[4]pyrrole-based metal coordination cage.
• Authors of publication: Lee, Juhoon; Brewster, James T.; Song, Bo; Lynch, Vincent M.; Hwang, Inhong; Li, Xiaopeng; Sessler, Jonathan L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 68
• Pages of publication: 9422 - 9425
• a: 19.2663 ± 0.0011 Å
• b: 25.3809 ± 0.0014 Å
• c: 24.2879 ± 0.0013 Å
• α: 90°
• β: 96.389 ± 0.003°
• γ: 90°
• Cell volume: 11802.9 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No