Information card for entry 7131323

Structure parameters

• Formula: C46 H40 Ag3 F9 O11
• Calculated formula: C46 H40 Ag2.9992 F9 O11
• Title of publication: Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.
• Authors of publication: Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 17
• Pages of publication: 2457 - 2460
• a: 12.3419 ± 0.0001 Å
• b: 20.9622 ± 0.0001 Å
• c: 18.1516 ± 0.0001 Å
• α: 90°
• β: 97.469 ± 0.001°
• γ: 90°
• Cell volume: 4656.22 ± 0.05 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No