Information card for entry 4306785

Structure parameters

• Common name: MIL-68_In
• Formula: C25.5 H12 In3 N0.5 O15.5
• Calculated formula: C25.5 H12 In3 N0.5 O15.5
• Title of publication: The Kagomé Topology of the Gallium and Indium Metal-Organic Framework Types with a MIL-68 Structure: Synthesis, XRD, Solid-State NMR Characterizations, and Hydrogen Adsorption
• Authors of publication: Christophe Volkringer; Mohamed Meddouri; Thierry Loiseau; Nathalie Guillou; Jérôme Marrot; Gérard Férey; Mohamed Haouas; Francis Taulelle; Nathalie Audebrand; Michel Latroche
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11892 - 11901
• a: 21.7739 ± 0.0006 Å
• b: 37.6772 ± 0.001 Å
• c: 7.233 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5933.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No