Information card for entry 7045770

Structure parameters

• Formula: C58 H72 N14 O22 Zn3
• Calculated formula: C36 H12 N6 O18 Zn3
• Title of publication: A novel polyhedron-based metal-organic framework with high performance for gas uptake and light hydrocarbon separation.
• Authors of publication: Sun, Qiushi; Yao, Shuo; Liu, Bing; Liu, Xinyao; Li, Guanghua; Liu, Xiaoyang; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 5005 - 5010
• a: 31.289 ± 0.004 Å
• b: 31.289 ± 0.004 Å
• c: 31.289 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30632 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No