Information card for entry 4128937

Structure parameters

• Formula: C240 H334 N34 O44 Zn8
• Calculated formula: C234 H316 N32 O42 Zn8
• Title of publication: Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.
• Authors of publication: Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4749 - 4755
• a: 15.7704 ± 0.0015 Å
• b: 19.0494 ± 0.0019 Å
• c: 22.544 ± 0.002 Å
• α: 67.594 ± 0.01°
• β: 84.711 ± 0.008°
• γ: 76.268 ± 0.009°
• Cell volume: 6082.3 ± 1.1 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: 0.1587
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No