Information card for entry 4132949

Structure parameters

• Formula: C20.31 H12 Cu D0.62 N2 O4
• Calculated formula: C20.308 H12 Cu D0.616 N2 O4
• Title of publication: Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.
• Authors of publication: Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 12940 - 12946
• a: 5.6951 ± 0.0005 Å
• b: 10.9729 ± 0.0013 Å
• c: 14.5655 ± 0.0012 Å
• α: 90°
• β: 93.64 ± 0.007°
• γ: 90°
• Cell volume: 908.39 ± 0.15 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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
• RFsqd: 0.07449
• Goodness-of-fit parameter for all reflections: 0.99
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.0774 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No