Information card for entry 4133089

Structure parameters

• Mineral name: MFM-601_CO2
• Formula: C51.36 H24 N2 O28.72 Zr3
• Calculated formula: C51.044 H24 N2 O28.404 Zr3
• 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: 20.6839 ± 0.0003 Å
• b: 20.6839 ± 0.0003 Å
• c: 66.7301 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28548.7 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 4.98582
• Goodness-of-fit parameter for all reflections: 3.30269
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.826013 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No