Information card for entry 1519415

Structure parameters

• Chemical name: Y-ftw-MOF-1
• Formula: C114 H86 O52 Y6
• Calculated formula: C114 H86 O51.96 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: 19.3042 ± 0.0005 Å
• b: 19.3042 ± 0.0005 Å
• c: 19.3042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7193.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No