Information card for entry 4511087

Structure parameters

• Formula: C10 H10 Al2 O12
• Calculated formula: C10 H2 Al2 O12
• Title of publication: Structural Transitions and Flexibility during Dehydration−Rehydration Process in the MOF-type Aluminum Pyromellitate Al2(OH)2[C10O8H2] (MIL-118)
• Authors of publication: Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Audebrand, Nathalie; Margiolaki, Irene; Popov, Dmitry; Burghammer, Manfred; Riekel, Christian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2927
• a: 11.365 ± 0.003 Å
• b: 6.822 ± 0.002 Å
• c: 17.733 ± 0.002 Å
• α: 90°
• β: 90.62 ± 0.04°
• γ: 90°
• Cell volume: 1374.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.271
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.771
• Diffraction radiation wavelength: 0.9613 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No