Information card for entry 7244321

Structure parameters

• Formula: C440 H512 N208 O224 S8 U12
• Calculated formula: C440 H512 N208 O224 S8 U12
• 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: 23.0996 ± 0.0013 Å
• b: 18.4319 ± 0.0011 Å
• c: 33.9541 ± 0.0019 Å
• α: 90°
• β: 103.095 ± 0.002°
• γ: 90°
• Cell volume: 14080.7 ± 1.4 ų
• Cell temperature: 143.01 K
• Ambient diffraction temperature: 143.01 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No