Information card for entry 7209258

Structure parameters

• Formula: C118 H236 I6 K6 N60 O83
• Calculated formula: C118 H132 K6 N60 O36
• Title of publication: An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions
• Authors of publication: Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1994
• a: 25.899 ± 0.002 Å
• b: 19.5796 ± 0.0017 Å
• c: 34.39 ± 0.003 Å
• α: 90°
• β: 94.006 ± 0.002°
• γ: 90°
• Cell volume: 17396 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.2823
• Weighted residual factors for all reflections included in the refinement: 0.3189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No