Information card for entry 4133087

Structure parameters

• Common name: MFM-600
• Formula: C38.13 H20 N1.73 O11.47 Zr2
• Calculated formula: C39.6 H20.6667 N1.8 O11.6 Zr2
• Title of publication: Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.
• Authors of publication: Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15564 - 15567
• a: 20.5905 ± 0.0004 Å
• b: 20.5905 ± 0.0004 Å
• c: 66.874 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28352.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No