Information card for entry 4508669

Structure parameters

• Chemical name: [Ag{Z2(H+)2}(cucurbituril)](ClO4)3-6.5(H2O)
• Formula: C56 H73 Ag Cl3 N28 O30.5
• Calculated formula: C56 H60 Ag Cl3 N28 O30.5
• Title of publication: Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril
• Authors of publication: Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1420
• a: 14.132 ± 0.011 Å
• b: 16.266 ± 0.013 Å
• c: 30.62 ± 0.02 Å
• α: 99.91 ± 0.07°
• β: 91.37 ± 0.07°
• γ: 92.56 ± 0.07°
• Cell volume: 6923 ± 9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1807
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No