Information card for entry 4104641

Structure parameters

• Formula: C12 H6 Cu O5
• Calculated formula: C12 H4 Cu O5
• Title of publication: Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows
• Authors of publication: Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9186 - 9188
• a: 42.7958 ± 0.0006 Å
• b: 42.7958 ± 0.0006 Å
• c: 42.7958 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 78379.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No