Information card for entry 4106349

Structure parameters

• Formula: C160 H112 Cl24 N32 Zn12
• Calculated formula: C160 H112 Cl24 N32 Zn12
• Title of publication: Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests
• Authors of publication: Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10018 - 10021
• a: 37.841 ± 0.005 Å
• b: 37.841 ± 0.005 Å
• c: 15.799 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19592 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2079
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No