Information card for entry 4134605

Structure parameters

• Chemical name: SIFSIX-23-Cu-beta2
• Formula: C24 H20 Cu F6 N8 Si
• Calculated formula: C24 H20 Cu F6 N8 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: 10.082 ± 0.005 Å
• b: 10.59 ± 0.005 Å
• c: 13.103 ± 0.007 Å
• α: 84.987 ± 0.015°
• β: 86.295 ± 0.015°
• γ: 62.063 ± 0.01°
• Cell volume: 1230.8 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 294.66 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2723
• Weighted residual factors for all reflections included in the refinement: 0.3278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No