Information card for entry 4517358

Structure parameters

• Formula: C117 H119 Cu9 N23 O47
• Calculated formula: C88 H32 Cu9 N12 O42
• Title of publication: Selective Acetylene Adsorption within an Imino Functionalized Nanocage-Based Metal-Organic Framework.
• Authors of publication: Meng, Lingkun; Yang, Lixia; Chen, Cailing; Dong, Xinglong; Ren, Siyuan; Li, Guang Hua; Li, Yi; Han, Yu; Shi, Zhan; Feng, Shouhua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 26.885 ± 0.005 Å
• b: 26.637 ± 0.005 Å
• c: 12.468 ± 0.003 Å
• α: 90°
• β: 116.42 ± 0.03°
• γ: 90°
• Cell volume: 7996 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No