Information card for entry 7212878

Structure parameters

• Formula: C36 H60 N24 O30 S2
• Calculated formula: C36 H36 N24 O29 S2
• Title of publication: Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids
• Authors of publication: Liu, Li; Jiang, Xiao; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3445
• a: 16.387 ± 0.004 Å
• b: 11.486 ± 0.003 Å
• c: 15.506 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2918.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No