Information card for entry 7207955

Structure parameters

• Formula: C138 H132 Cl Cs N64 O59
• Calculated formula: C138 H132 Cl Cs N64 O59
• Title of publication: p-Hydroxybenzoic acid-induced formation of a novel framework based on direct coordination of caesium ions to cucurbit[8]uril
• Authors of publication: Chen, Kai; Liang, Li-Li; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3862
• a: 39.477 ± 0.012 Å
• b: 21.751 ± 0.006 Å
• c: 26.908 ± 0.015 Å
• α: 90°
• β: 131.554 ± 0.002°
• γ: 90°
• Cell volume: 17290 ± 12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1334
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.3201
• Weighted residual factors for all reflections included in the refinement: 0.3432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No