Information card for entry 7701254

Structure parameters

• Formula: C15 H9 Cu3 F12 N5 O7
• Calculated formula: C15 H9 Cu3 F12 N5 O7
• Title of publication: CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu^II-chains containing accessible unsaturated, reactive metal centres.
• Authors of publication: Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15236 - 15246
• a: 14.2997 ± 0.0004 Å
• b: 9.4881 ± 0.0003 Å
• c: 9.3862 ± 0.0003 Å
• α: 90°
• β: 109.712 ± 0.001°
• γ: 90°
• Cell volume: 1198.86 ± 0.06 ų
• Cell temperature: 268 ± 2 K
• Ambient diffraction temperature: 268.01 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No