Information card for entry 7117527

Structure parameters

• Chemical name: u4
• Formula: C120 H136 Br2 N60 O46 U2
• Calculated formula: C120 H136 Br2 N60 O46 U2
• 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: 13.333 ± 0.003 Å
• b: 26.409 ± 0.005 Å
• c: 26.515 ± 0.005 Å
• α: 81.73 ± 0.03°
• β: 84.73 ± 0.03°
• γ: 84.24 ± 0.03°
• Cell volume: 9164 ± 3 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: 0.0798
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No