Information card for entry 1577191

Structure parameters

• Formula: C92 H123 Cl Co4 F2 N12 O26 S4
• Calculated formula: C86 H109 Cl Co4 F2 N10 O24 S4
• Title of publication: Rationally designed tetrahedral-configuration-matching methane trap in a metal–organic framework for efficient CH4/N2 separation
• Authors of publication: Wang, Yating; Zhang, Feifei; Yang, Yanan; Wang, Xiaoqing; Li, Jinping; Yang, Jiangfeng
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 16.033 ± 0.002 Å
• b: 39.406 ± 0.005 Å
• c: 16.585 ± 0.002 Å
• α: 90°
• β: 91.947 ± 0.009°
• γ: 90°
• Cell volume: 10472 ± 2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No