Information card for entry 7133935

Structure parameters

• Formula: C60 H38 N5 O25 Zn5.5
• Calculated formula: C60 H38 N5 O25 Zn5.5
• Title of publication: Metal-organic framework with pore contraction and modification by diethylammonium cations for record SO₂/CO₂ separation.
• Authors of publication: Yang, Mei; Yuan, Wenke; Li, Xiu-Yuan; Liu, Bo; Zhou, Huifang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 87
• Pages of publication: 12754 - 12757
• a: 38.8022 ± 0.0008 Å
• b: 38.8022 ± 0.0008 Å
• c: 12.8725 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19381 ± 0.8 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No