Information card for entry 7107658

Structure parameters

• Formula: C96 H125 Co2.5 N4 O23
• Calculated formula: C90 H106 Co2.5 N2 O21
• Title of publication: Calix[4]arene-based metal-organic frameworks: towards hierarchically porous materials
• Authors of publication: Sean P. Bew; Andrew D. Burrows; Tina Duren; Mary F. Mahon; Peyman Z. Moghadam; Viorica M. Sebestyen; Sean Thurston
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4824
• a: 13.7658 ± 0.0003 Å
• b: 16.0409 ± 0.0005 Å
• c: 22.3491 ± 0.001 Å
• α: 104.894 ± 0.003°
• β: 89.547 ± 0.003°
• γ: 92.223 ± 0.002°
• Cell volume: 4765.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No