Information card for entry 4128934

Structure parameters

• Formula: C123 H170 N21 O27 Zn4
• Calculated formula: C114 H144 N18 O24 Zn4
• 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: 16.1706 ± 0.0009 Å
• b: 19.1783 ± 0.0007 Å
• c: 22.1386 ± 0.001 Å
• α: 89.034 ± 0.003°
• β: 72.865 ± 0.004°
• γ: 80.624 ± 0.004°
• Cell volume: 6469.8 ± 0.5 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: 0.0994
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No