Information card for entry 7042852

Structure parameters

• Formula: C40 H32 N4 O4 Zn
• Calculated formula: C40 H32 N4 O4 Zn
• Title of publication: Post-cycloaddition modification of a porous MOF for improved GC separation of ethanol and water
• Authors of publication: Zhang, Ya-Jun; Chen, Cheng; Ji, Min; Cai, Li-Xuan; Tan, Bin; Yang, Xiao-Dong; Zhang, Jie
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 24.6587 ± 0.0009 Å
• b: 24.8939 ± 0.0007 Å
• c: 22.327 ± 0.0008 Å
• α: 90°
• β: 111.555 ± 0.004°
• γ: 90°
• Cell volume: 12747 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No