Information card for entry 4109100

Structure parameters

• Common name: MOF-HTB'
• Formula: C9 H4 Cu0.5 N2.33 O2.5
• Calculated formula: C9 H4 Cu0.5 N2.33333 O2.5
• Title of publication: Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake
• Authors of publication: Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1858 - 1859
• a: 52.993 ± 0.006 Å
• b: 52.993 ± 0.006 Å
• c: 52.993 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 148818 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No