Information card for entry 1519417

Structure parameters

• Chemical name: Y-ftw-MOF-3
• Formula: C162 H78 O32 Y6
• Calculated formula: C162 H78 O32 Y6
• Title of publication: Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs
• Authors of publication: Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4095
• a: 48.111 ± 0.016 Å
• b: 48.111 ± 0.016 Å
• c: 48.111 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 111361 ± 6 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 2 K
• Number of distinct elements: 4
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No