Information card for entry 7246267

Structure parameters

• Formula: C40 H52 N20 O24 Rb2 S2
• Calculated formula: C40 H36 N20 O20 Rb2 S2
• Title of publication: Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies
• Authors of publication: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 1529 - 1540
• a: 12.449 ± 0.005 Å
• b: 16.143 ± 0.005 Å
• c: 26.916 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.226 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5387 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1007
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No