Information card for entry 4106751

Structure parameters

• Formula: C69 H45 Cu4 N9 O24
• Calculated formula: C69 H45 Cu4 N9 O24
• Title of publication: The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks
• Authors of publication: Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14204 - 14207
• a: 22.751 ± 0.008 Å
• b: 28.318 ± 0.01 Å
• c: 57.36 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36955 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.40663 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No