Information card for entry 7107657

Structure parameters

• Formula: C99 H127 Cd2 N5 O21
• Calculated formula: C93 H113 Cd2 N3 O19
• 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: 15.55 ± 0.0003 Å
• b: 24.921 ± 0.0002 Å
• c: 25.282 ± 0.0004 Å
• α: 90°
• β: 90.005 ± 0.001°
• γ: 90°
• Cell volume: 9797.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No