Information card for entry 4002908

Structure parameters

• Common name: catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)
• Formula: C8 H4 F6 N4 Zn
• Calculated formula: C8 H4 F6 N4 Zn
• Title of publication: Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework
• Authors of publication: Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3777
• a: 17.5317 ± 0.0008 Å
• b: 17.5317 ± 0.0008 Å
• c: 17.5317 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5388.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor R(I) for significantly intense reflections: 0.021
• Goodness-of-fit parameter for all reflections: 10.727
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No