Information card for entry 7211574

Structure parameters

• Formula: C84 H88 N2 O46 S10
• Calculated formula: C84 H68 N2 O46 S10
• Title of publication: Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups
• Authors of publication: Su, Xin; Guo, Dong-Sheng; Liu, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 947
• a: 31.666 ± 0.005 Å
• b: 19.154 ± 0.003 Å
• c: 22.704 ± 0.004 Å
• α: 90°
• β: 111.471 ± 0.003°
• γ: 90°
• Cell volume: 12815 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No