Information card for entry 1557222

Structure parameters

• Formula: C20 H12 Cu N2 O4
• Calculated formula: C20 H12 Cu N2 O4
• Title of publication: Ultramicroporous Metal‒Organic Framework Qc-5-Cu for Highly Selective Adsorption of CO2 from C2H4 Stream
• Authors of publication: He, Tengjiao; Xiao, Yonghou; Zhao, Qidong; Zhou, Mengxue; He, Gaohong
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2020
• a: 5.6674 ± 0.0005 Å
• b: 10.9072 ± 0.0012 Å
• c: 14.5876 ± 0.0011 Å
• α: 90°
• β: 93.491 ± 0.007°
• γ: 90°
• Cell volume: 900.07 ± 0.14 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.09172
• Goodness-of-fit parameter for all reflections: 1
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.0774 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No