Information card for entry 4130125

Structure parameters

• Formula: C209 H267 N33 O41 Zn8
• Calculated formula: C209 H267 N33 O41 Zn8
• Title of publication: Self-Assembled Pyridine-Dipyrrolate Cages.
• Authors of publication: Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4573 - 4579
• a: 15.916 ± 0.005 Å
• b: 18.83 ± 0.006 Å
• c: 19.364 ± 0.006 Å
• α: 105.094 ± 0.004°
• β: 103.903 ± 0.004°
• γ: 91.781 ± 0.005°
• Cell volume: 5412 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No