Information card for entry 4003686

Structure parameters

• Formula: C114 H80 Ce38 O114
• Calculated formula: C114 H80 Ce38 O114
• Title of publication: Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters
• Authors of publication: Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 23.2865 ± 0.0008 Å
• b: 23.2865 ± 0.0008 Å
• c: 34.8183 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18880.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.3307
• Weighted residual factors for all reflections included in the refinement: 0.4052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No