Information card for entry 7130935

Structure parameters

• Formula: C60 H57 F8 N18 O18 Y6
• Calculated formula: C40.5 H51 F8 N7.5 O12 Y6
• Title of publication: A cationic fcu-lanthanide MOF enhances the uptake of iodine vapour at room temperature
• Authors of publication: Zwanziger, Clara; do Pim, Walace D.; Kitos, Alexandros A.; Ovens, Jeffrey S.; Pallister, Peter J.; Murugesu, Muralee
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 23.4208 ± 0.0007 Å
• b: 23.4208 ± 0.0007 Å
• c: 23.4208 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12847.1 ± 0.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No