Information card for entry 4113065

Structure parameters

• Common name: itq21_as-synthesised
• Chemical name: ITQ-21 as synthesised, ref. number: itq21-653
• Formula: C384 H696 F24 Ge120 N48 O576 Si168
• Calculated formula: F23.616 Ge288.192 O573.12 Si19.456
• Title of publication: Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21
• Authors of publication: Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13414 - 13423
• a: 27.696 Å
• b: 27.696 Å
• c: 27.696 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21244.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 226
• Hermann-Mauguin space group symbol: F m -3 c
• Hall space group symbol: -F 4a 2 3
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0912
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.008
• Diffraction radiation wavelength: 0.9611 Å
• Diffraction radiation type: monochromatic
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No