Information card for entry 7042854

Structure parameters

• Formula: C62.25 H45.25 Cu6 F36 N16.75 O4.75
• Calculated formula: C48 H12 Cu5 F36 N12
• 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: 23.63 ± 0.005 Å
• b: 23.63 ± 0.005 Å
• c: 41.39 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 20015 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No