Information card for entry 7131568

Structure parameters

• Formula: C51 H90 Cd N18 O37
• Calculated formula: C51 H48 Cd N18 O16
• 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: 15.0854 ± 0.0005 Å
• b: 15.8414 ± 0.0006 Å
• c: 16.6026 ± 0.0006 Å
• α: 77.578 ± 0.002°
• β: 73.354 ± 0.002°
• γ: 78.418 ± 0.001°
• Cell volume: 3671 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0611
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No