Information card for entry 7204600

Structure parameters

• Formula: C39 H24 F3 N3 O72 Si36
• Calculated formula: C39 F2.88 N3 O72 Si36
• Title of publication: The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA
• Authors of publication: Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 1978
• a: 13.4902 ± 0.001 Å
• b: 13.4902 ± 0.0009 Å
• c: 14.7578 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2325.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.6984 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No