Information card for entry 4001058

Structure parameters

• Formula: C306 H102 Al51 O374
• Calculated formula: C306 H102 Al51 O374
• Title of publication: Synthesis, Single-Crystal X-ray Microdiffraction, and NMR Characterizations of the Giant Pore Metal-Organic Framework Aluminum Trimesate MIL-100
• Authors of publication: Volkringer, Christophe; Popov, Dimitry; Loiseau, Thierry; Férey, Gérard; Burghammer, Manfred; Riekel, Christian; Haouas, Mohamed; Taulelle, Francis
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5695
• a: 71.687 ± 0.003 Å
• b: 71.687 ± 0.003 Å
• c: 71.687 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 368401 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.2279
• Residual factor for significantly intense reflections: 0.1744
• Weighted residual factors for significantly intense reflections: 0.4014
• Weighted residual factors for all reflections included in the refinement: 0.4298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.9612 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No