Information card for entry 1552197

Structure parameters

• Formula: C26 H20 Ag Cl N8 O4
• Calculated formula: C26 H20 Ag Cl N8 O4
• SMILES: c12ccccc1nc1c(Cn3nc(cc3)c3[n]([Ag][n]4n(C1)ccc4c1ccccn1)cccc3)n2.O=Cl(=O)(=O)[O-]
• 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: 27.078 ± 0.005 Å
• b: 12.193 ± 0.002 Å
• c: 16.998 ± 0.003 Å
• α: 90°
• β: 110.78 ± 0.03°
• γ: 90°
• Cell volume: 5247 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No