Information card for entry 4104763

Structure parameters

• Formula: C65 H24 In8 N36 O50
• Calculated formula: C64.248 H21.912 In8 N34.13 O49.416
• Title of publication: Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies
• Authors of publication: Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10394 - 10396
• a: 20.195 ± 0.003 Å
• b: 20.195 ± 0.003 Å
• c: 20.195 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8236 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No