Information card for entry 4116095

Structure parameters

• Common name: ITQ4
• Formula: C28 H34 F2 N2 O66 Si32
• Calculated formula: C28 H34 F2 N2 O66 Si32
• Title of publication: Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR
• Authors of publication: Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 7128 - 7129
• a: 18.51 ± 0.003 Å
• b: 13.4478 ± 0.0018 Å
• c: 7.6928 ± 0.001 Å
• α: 90°
• β: 101.552 ± 0.003°
• γ: 90°
• Cell volume: 1876.1 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: I 1 m 1
• Hall space group symbol: I -2y
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.6994 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No