Information card for entry 1515058

Structure parameters

• Formula: C159 H O24 Zn4
• Calculated formula: C159 O24 Zn4
• Title of publication: Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities
• Authors of publication: Wen, Liang; Cheng, Peng; Lin, Wenbin
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2288
• a: 20.6536 ± 0.0003 Å
• b: 33.4974 ± 0.0005 Å
• c: 20.7926 ± 0.0003 Å
• α: 90°
• β: 118.619 ± 0.001°
• γ: 90°
• Cell volume: 12627.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No