Information card for entry 1568020

Structure parameters

• Formula: C30 H15 F2 N3 O6.62 Y1.5
• Calculated formula: C30 H15 F2 N3 O6.625 Y1.5
• Title of publication: Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs
• Authors of publication: Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 17.7478 ± 0.0001 Å
• b: 17.7478 ± 0.0001 Å
• c: 25.9278 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8166.85 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No