Information card for entry 7226362

Structure parameters

• Formula: C126 H142 Br6 N40 O28
• Calculated formula: C126 H142 Br6 N40 O28
• Title of publication: Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state
• Authors of publication: Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 41
• Pages of publication: 7929
• a: 24.382 ± 0.002 Å
• b: 23.126 ± 0.002 Å
• c: 27.053 ± 0.003 Å
• α: 90°
• β: 109.521 ± 0.001°
• γ: 90°
• Cell volume: 14377 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No