Information card for entry 4507719

Structure parameters

• Formula: C40 H26 Cu2 O10
• Calculated formula: C40 H22 Cu2 O10
• Title of publication: A Doubly Interpenetrated Metal‒Organic Framework with Open Metal Sites and Suitable Pore Sizes for Highly Selective Separation of Small Hydrocarbons at Room Temperature
• Authors of publication: Cai, Jianfeng; Yu, Jiancan; Xu, Hui; He, Yabing; Duan, Xing; Cui, Yuanjing; Wu, Chuande; Chen, Banglin; Qian, Guodong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 2094
• a: 28.1968 ± 0.0013 Å
• b: 28.1968 ± 0.0013 Å
• c: 18.1399 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14422.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No