Information card for entry 7135713

Structure parameters

• Formula: C116 H92 Cl6 F24 N2 O43 Zr12
• Calculated formula: C108 H72 Cl6 F24 O40 Zr12
• Title of publication: A fluorinated zirconium metal-organic cage-based supramolecular framework for efficient separation of methanol-to-olefin (MTO) products.
• Authors of publication: Yang, Tao; Fan, Zhiyuan; Zheng, Jingyang; Zhang, Meng; Chen, Tao; Zhou, Yuqing; Li, Changjiang; Jiang, Yao; Sun, Lin-Bing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 35
• Pages of publication: 9001 - 9005
• a: 37.167 ± 0.003 Å
• b: 37.167 ± 0.003 Å
• c: 37.167 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51342 ± 7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No