Information card for entry 4108510

Structure parameters

• Formula: C26 H12 Cu O6
• Calculated formula: C26 H12 Cu O6
• Title of publication: Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks
• Authors of publication: Liqing Ma; Wenbin Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13834 - 13835
• a: 24.5377 ± 0.0002 Å
• b: 24.5377 ± 0.0002 Å
• c: 72.0873 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 43403.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No