Information card for entry 7131567

Structure parameters

• Formula: C52 H70 N18 O26 Zn
• Calculated formula: C52 H46 N18 O14 Zn
• Title of publication: Metal-organic rotaxane frameworks constructed from a cucurbit[8]uril-based ternary complex for the selective detection of antibiotics.
• Authors of publication: Wu, Weijie; Xu, Yinghao; Wang, Shoujun; Pang, Qingqing; Liu, Simin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 39
• Pages of publication: 5890 - 5893
• a: 15.936 ± 0.003 Å
• b: 18.3877 ± 0.0014 Å
• c: 21.801 ± 0.003 Å
• α: 90°
• β: 104.97 ± 0.01°
• γ: 90°
• Cell volume: 6171.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No