Information card for entry 4106350

Structure parameters

• Formula: C36 H24 Cl6 N12 Zn3
• Calculated formula: C36 H24 Cl6 N12 Zn3
• 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: 32.668 ± 0.003 Å
• b: 14.4026 ± 0.0007 Å
• c: 31.108 ± 0.003 Å
• α: 90°
• β: 100.533 ± 0.007°
• γ: 90°
• Cell volume: 14390 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2307
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.498
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No