Information card for entry 7228494

Structure parameters

• Formula: C88 H198 Cd3 Cl14 N48 O73 Sr4
• Calculated formula: C88 H98 Cd3 Cl14 N48 O42 Sr4
• Title of publication: Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions
• Authors of publication: Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 15.5487 ± 0.0016 Å
• b: 15.7451 ± 0.0017 Å
• c: 20.742 ± 0.002 Å
• α: 94.195 ± 0.004°
• β: 111.638 ± 0.003°
• γ: 110.716 ± 0.003°
• Cell volume: 4292.2 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2812
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No