Information card for entry 2104993

Structure parameters

• Formula: C5.38 H5.38 O24 Si12
• Calculated formula: C5.397 H5.397 O24 Si12
• Title of publication: Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method
• Authors of publication: Kamiya, Natsumi; Iwama, Wataru; Kudo, Tomokazu; Nasuno, Tomomi; Fujiyama, Shinjiro; Nishi, Koji; Yokomori, Yoshinobu
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: 508 - 515
• a: 19.92 ± 0.012 Å
• b: 19.88 ± 0.013 Å
• c: 13.386 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5301 ± 6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes