Information card for entry 1550985

Structure parameters

• Formula: C56 H44 F12 O40 Zr6
• Calculated formula: C56 H24 F12 O40 Zr6
• Title of publication: Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations
• Authors of publication: Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 17.445 ± 0.003 Å
• b: 17.445 ± 0.003 Å
• c: 22.934 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6979 ± 2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1817
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2841
• Weighted residual factors for all reflections included in the refinement: 0.3324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No