Information card for entry 4134606

Structure parameters

• Chemical name: SIFSIX-23-Cu-beta1
• Formula: C24 H22 Cu F6 N8 O Si
• Calculated formula: C24 H22 Cu F6 N8 O Si
• Title of publication: Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.
• Authors of publication: Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.4165 ± 0.0008 Å
• b: 11.6479 ± 0.0008 Å
• c: 12.239 ± 0.0012 Å
• α: 64.535 ± 0.004°
• β: 71.549 ± 0.005°
• γ: 74.498 ± 0.003°
• Cell volume: 1256.77 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.1333
• Weighted residual factors for significantly intense reflections: 0.3287
• Weighted residual factors for all reflections included in the refinement: 0.36
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No