Information card for entry 4101551

Structure parameters

• Common name: MIL-96 (Al)
• Formula: C6 H2 Al1.56 O7.33
• Calculated formula: C6 H2 Al1.55333 O7.32667
• Title of publication: MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units.
• Authors of publication: Loiseau, Thierry; Lecroq, Ludovic; Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Bourrelly, Sandrine; Llewellyn, Philip L; Latroche, Michel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 31
• Pages of publication: 10223 - 10230
• a: 14.2074 ± 0.0002 Å
• b: 14.2074 ± 0.0002 Å
• c: 31.2302 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5459.27 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No