Information card for entry 1551045

Structure parameters

• Formula: C324 H240 Cu12 N12 O108 Zn12
• Calculated formula: C324 H144 Cu12 N12 O108 Zn12
• Title of publication: Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms
• Authors of publication: Lee, Jiyoung; Choi, Jae Sun; Jeong, Nak Cheon; Choe, Wonyoung
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 46.455 ± 0.005 Å
• b: 46.455 ± 0.005 Å
• c: 46.455 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 100253 ± 19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2707
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No