Information card for entry 7237223

Structure parameters

• Formula: C20 H16 Cu F6 N8 Ti
• Calculated formula: C20 H16 Cu F6 N8 Ti
• Title of publication: A highly sensitive flexible metal‒organic framework sets a new benchmark for separating propyne from propylene
• Authors of publication: Yang, Lifeng; Cui, Xili; Zhang, Yuanbin; Yang, Qiwei; Xing, Huabin
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 47
• Pages of publication: 24452
• a: 13.097 ± 0.003 Å
• b: 13.097 ± 0.003 Å
• c: 8.628 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No