Information card for entry 1561145

Structure parameters

• Formula: C28 H17 Cu2 N O10
• Calculated formula: C28 H17 Cu2 N O10
• Title of publication: A new metal-organic framework for separation of C2H2/CH4 and CO2/CH4 at room temperature
• Authors of publication: Duan, Xing; Zhou, You; Lv, Ran; Yu, Ben; Chen, Haodong; Ji, Zhenguo; Cui, Yuanjing; Yang, Yu; Qian, Guodong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 260
• Pages of publication: 31 - 33
• a: 18.7309 ± 0.0016 Å
• b: 18.7309 ± 0.0016 Å
• c: 34.235 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10402 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No