Information card for entry 1551454

Structure parameters

• Mineral name: NOTT-300-2.5C2H4
• Formula: C21 H18 Al2 O10
• Calculated formula: C21.0688 H18.1376 Al2 O10
• Title of publication: Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework
• Authors of publication: Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 121 - 129
• a: 14.80469 ± 0.000033 Å
• b: 14.80469 ± 0.000033 Å
• c: 11.801726 ± 0.000035 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2586.69 ± 0.011 ų
• Ambient diffraction temperature: 273 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 R(I) for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 2.74
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.826126 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No