Information card for entry 4514733

Structure parameters

• Formula: C102.56 H52 F2 O34 Zr6
• Calculated formula: C102.56 H52 F2 O34 Zr6
• Title of publication: Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation
• Authors of publication: Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 3198
• a: 39.446 ± 0.002 Å
• b: 39.446 ± 0.002 Å
• c: 16.4166 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22122 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2736
• 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