Information card for entry 7211919

Structure parameters

• Formula: C12 H4 Cu O5.63
• Calculated formula: C12 H4 Cu O5.62
• Title of publication: Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity
• Authors of publication: Kanoo, Prakash; Gurunatha, K. L.; Maji, Tapas Kumar
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 1322
• a: 10.8058 ± 0.0006 Å
• b: 10.8058 ± 0.0006 Å
• c: 14.2168 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No