Information card for entry 1572773

Structure parameters

• Formula: C78 H72 N8 O16 Zn3
• Calculated formula: C78 H72 N8 O16 Zn3
• Title of publication: Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.
• Authors of publication: Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15198 - 15204
• a: 23.3813 ± 0.0011 Å
• b: 8.8522 ± 0.0004 Å
• c: 18.8122 ± 0.0009 Å
• α: 90°
• β: 111.915 ± 0.005°
• γ: 90°
• Cell volume: 3612.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1297
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No