Information card for entry 1552200

Structure parameters

• Formula: C68 H60 Ag2 Cl2 N16 O8
• Calculated formula: C68 H60 Ag2 Cl2 N16 O8
• Title of publication: Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction
• Authors of publication: Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.9995 ± 0.0001 Å
• b: 23.1335 ± 0.0003 Å
• c: 20.7862 ± 0.0002 Å
• α: 90°
• β: 97.723 ± 0.001°
• γ: 90°
• Cell volume: 6670.7 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No