Information card for entry 7239560

Structure parameters

• Formula: C31 H22 Cu2 O10
• Calculated formula: C31 H10 Cu2 O10
• Title of publication: A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments
• Authors of publication: Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 2628
• a: 18.4819 ± 0.0003 Å
• b: 18.4819 ± 0.0003 Å
• c: 34.4495 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10190.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No