Information card for entry 7044464

Structure parameters

• Formula: C41 H43 Cu5 F24 N14 O13
• Calculated formula: C41 H43 Cu5 F24 N14 O13
• Title of publication: CFA-13 - a bifunctional perfluorinated metal-organic framework featuring active Cu(I) and Cu(II) sites
• Authors of publication: Fritzsche, Julia Christina; Denysenko, Dmytro; Grzywa, Maciej; Volkmer, Dirk
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.1804 ± 0.0013 Å
• b: 13.6888 ± 0.0008 Å
• c: 30.6866 ± 0.0014 Å
• α: 90°
• β: 133.15 ± 0.003°
• γ: 90°
• Cell volume: 6491 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No