Information card for entry 2100145

Structure parameters

• Formula: C11.33 H12.95 O48 Si24
• Calculated formula: C11.333 H12.952 O48 Si24
• Title of publication: Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5
• Authors of publication: Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: 160 - 163
• a: 20.099 ± 0.0004 Å
• b: 19.844 ± 0.0003 Å
• c: 13.424 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5354.09 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes