Information card for entry 7206176

Structure parameters

• Formula: C96 H157 Cl N56 O63 Rb2
• Calculated formula: C96 H96 Cl N56 O38 Rb2
• Title of publication: Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril
• Authors of publication: Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5105
• a: 27.994 ± 0.004 Å
• b: 27.994 ± 0.004 Å
• c: 19.391 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15196 ± 6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No