Information card for entry 4132542

Structure parameters

• Formula: C80 H66 N12 O40 Tb6
• Calculated formula: C59.9988 H29.0022 N9.999 O37.9968 Tb5.9994
• 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: 38.985 ± 0.005 Å
• b: 38.985 ± 0.005 Å
• c: 38.985 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59251 ± 13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.2036
• Residual factor for significantly intense reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.3723
• Weighted residual factors for all reflections included in the refinement: 0.4185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.753
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No