Information card for entry 7117525

Structure parameters

• Chemical name: u2
• Formula: C108 H112 Br2 N52 O34 U
• Calculated formula: C108 H112 Br2 N52 O34 U
• Title of publication: Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks
• Authors of publication: Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11990
• a: 12.6611 ± 0.0004 Å
• b: 15.3936 ± 0.0006 Å
• c: 17.0052 ± 0.0007 Å
• α: 90.039 ± 0.003°
• β: 97.817 ± 0.003°
• γ: 91.364 ± 0.003°
• Cell volume: 3282.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1763
• Residual factor for significantly intense reflections: 0.1536
• Weighted residual factors for significantly intense reflections: 0.3816
• Weighted residual factors for all reflections included in the refinement: 0.4181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No