Information card for entry 4002907

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: 8.8027 ± 0.0004 Å
• b: 8.8027 ± 0.0004 Å
• c: 12.7893 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 858.24 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 172
• Hermann-Mauguin space group symbol: P 64
• Hall space group symbol: P 64
• Residual factor R(I) for significantly intense reflections: 0.018
• Goodness-of-fit parameter for all reflections: 10.224
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No