Information card for entry 4508668

Structure parameters

• Chemical name: [Ag{Z2(H+)2}(cucurbituril)](NO3)3-10(H2O)
• Formula: C56 H80 Ag N31 O31
• Calculated formula: C56 H60 Ag N31 O31
• 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: 13.716 ± 0.017 Å
• b: 14.257 ± 0.011 Å
• c: 18.69 ± 0.03 Å
• α: 81.43 ± 0.09°
• β: 76.57 ± 0.11°
• γ: 83.52 ± 0.09°
• Cell volume: 3504 ± 8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1908
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No