Information card for entry 1101220

Structure parameters

• Formula: C100 H212 K8 O128 S2 Si2 Ti4 W20
• Calculated formula: C100 K8 O128 S2 Si2 Ti4 W20
• Title of publication: Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate
• Authors of publication: Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2347 - 2356
• a: 33.2107 ± 0.0003 Å
• b: 35.4445 ± 0.0004 Å
• c: 85.0187 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 100079 ± 1.7 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 8
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 8.293
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No