Information card for entry 4135041

Structure parameters

• Formula: C301 H217.5 B10 Co5 F40 N50.5 O S10
• Calculated formula: C301 H176 B10 Co5 F40 N50.5 O S10
• Title of publication: An <i>S</i>₁₀-symmetric 5-fold Interlocked [2]Catenane.
• Authors of publication: Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 27.3964 ± 0.0008 Å
• b: 27.5891 ± 0.0011 Å
• c: 27.8154 ± 0.0008 Å
• α: 90.192 ± 0.003°
• β: 118.294 ± 0.002°
• γ: 116.73 ± 0.003°
• Cell volume: 15894.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.32
• Weighted residual factors for all reflections included in the refinement: 0.3466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No