Information card for entry 4132543

Structure parameters

• Formula: C178 H138 N8 O38 Tb6
• Calculated formula: C174 H102 N6 O32 Tb6
• Title of publication: Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.
• Authors of publication: Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8858 - 8867
• a: 39.74 ± 0.001 Å
• b: 39.74 ± 0.001 Å
• c: 56.261 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 88851 ± 4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.1404
• Weighted residual factors for significantly intense reflections: 0.3705
• Weighted residual factors for all reflections included in the refinement: 0.3748
• Goodness-of-fit parameter for all reflections included in the refinement: 2.467
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No