Information card for entry 7117524

Structure parameters

• Chemical name: u1
• Formula: C54 H56 N26 O22 S U
• Calculated formula: C54 H56 N26 O22 S 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: 15.4905 ± 0.0004 Å
• b: 15.7934 ± 0.0005 Å
• c: 16.7184 ± 0.0006 Å
• α: 68.423 ± 0.003°
• β: 89.602 ± 0.003°
• γ: 83.048 ± 0.003°
• Cell volume: 3772.4 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No