Information card for entry 4106351

Structure parameters

• Formula: C20 H14 I2 N4 Zn
• Calculated formula: C20 H14 I2 N4 Zn
• 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: 9.7312 ± 0.0019 Å
• b: 11.277 ± 0.002 Å
• c: 18.98 ± 0.004 Å
• α: 90°
• β: 103.29 ± 0.03°
• γ: 90°
• Cell volume: 2027.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No