Information card for entry 1568019

Structure parameters

• Formula: C75 H67 N11 O18 Y2
• Calculated formula: C75 H67 N11 O18 Y2
• 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: 11.8512 ± 0.0012 Å
• b: 16.2294 ± 0.0016 Å
• c: 19.309 ± 0.002 Å
• α: 78.447 ± 0.003°
• β: 75.155 ± 0.003°
• γ: 89.692 ± 0.003°
• Cell volume: 3513 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No