Information card for entry 7042853

Structure parameters

• Formula: C18 H14 F12 N4 O2
• Calculated formula: C18 H14 F12 N4 O2
• Title of publication: CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations
• Authors of publication: Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.899 ± 0.0005 Å
• b: 14.7907 ± 0.0007 Å
• c: 8.9987 ± 0.0008 Å
• α: 90°
• β: 111.494 ± 0.002°
• γ: 90°
• Cell volume: 1102.06 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No