Information card for entry 7244322

Structure parameters

• Formula: C110 H122 Cl N52 O51 S2 U3
• Calculated formula: C110 H122 Cl N52 O51 S2 U3
• Title of publication: Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane
• Authors of publication: Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 1955 - 1965
• a: 23.1168 ± 0.0013 Å
• b: 24.6194 ± 0.0015 Å
• c: 24.9596 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14205.1 ± 1.3 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No