Information card for entry 1516465

Structure parameters

• Formula: C65 H71 Cl4 N34 O29 Zn
• Calculated formula: C65 H71 Cl4 N34 O29 Zn
• Title of publication: Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains
• Authors of publication: Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 5211 - 5217
• a: 17.6178 ± 0.0009 Å
• b: 18.0031 ± 0.001 Å
• c: 18.3649 ± 0.001 Å
• α: 88.054 ± 0.002°
• β: 64.192 ± 0.002°
• γ: 73.825 ± 0.002°
• Cell volume: 5010.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2327
• Residual factor for significantly intense reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.4447
• Weighted residual factors for all reflections included in the refinement: 0.4861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No