Information card for entry 1551456

Structure parameters

• Mineral name: NOTT-300 C2D4
• Formula: C19.6 H8 Al2 D7.2 O10
• Calculated formula: C19.6416 H8 Al2 D7.2832 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: 14.794232 ± 0.000096 Å
• b: 14.794232 ± 0.000096 Å
• c: 11.77851 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2577.95 ± 0.05 ų
• Ambient diffraction temperature: 10 K
• Number of distinct elements: 5
• 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: 0.015
• Goodness-of-fit parameter for all reflections included in the refinement: 3.83
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: ToF
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No