Information card for entry 1572774

Structure parameters

• Formula: C66 H44 N4 O12 Zn3
• Calculated formula: C66 H44 N4 O12 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: 16.9 ± 0.5 Å
• b: 9.5 ± 0.2 Å
• c: 18.2 ± 0.3 Å
• α: 90°
• β: 94.7 ± 0.3°
• γ: 90°
• Cell volume: 2912 ± 12 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: 0.2839
• Residual factor for significantly intense reflections: 0.2263
• Weighted residual factors for significantly intense reflections: 0.5061
• Weighted residual factors for all reflections included in the refinement: 0.5386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No