Information card for entry 7116796

Structure parameters

• Chemical name: UTSA-60
• Formula: C18 H14 Cu2 N0 O10
• Calculated formula: C18 H14 Cu2 O10
• Title of publication: A microporous metal-organic framework with rare lvt topology for highly selective C2H2/C2H4 separation at room temperature
• Authors of publication: Hui-Min Wen; Bin Li; Hailong Wang; Chuande Wu; Khalid Alfooty; Rajamani Krishna; Banglin Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5610
• a: 18.8261 ± 0.001 Å
• b: 22.1934 ± 0.0009 Å
• c: 10.0062 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4180.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No