Information card for entry 7131324

Structure parameters

• Formula: C50 H51 Ag2 Cl3 F6 O14
• Calculated formula: C50 H51 Ag2 Cl3 F6 O14
• 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: 12.1078 ± 0.0001 Å
• b: 20.0062 ± 0.0002 Å
• c: 21.6776 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5250.99 ± 0.08 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No