Information card for entry 1101219

Structure parameters

• Formula: C258 H579 N17 O156 Si4 Ti8 W40
• Calculated formula: C247.01 N17 O156 Si4 Ti8 W40
• SMILES: [Si]123O[W]456(O[W]78(O[Ti]9%10(O[Ti]%11%12%13O[Ti]%14(O[W]%15%16(O[W]%17%18(O[Si]%19%20O[W]%21%22(=O)(O[W]%23(O[W]%24(=O)(O[W](=O)(O%15)(O[W]%15(=O)(O[W]%25(O[W](O[W](O%11)(O%25)(=O)O%22)(O%18)(O%15)=O)(=O)O%24)(O%17)O%19)O%23)O%21)(O%16)(O%20)=O)O%13)(O%14)=O)=O)(O%12)O[Ti]%11(O[W]%12%13(O[W]%14(O%11)(O[W]%11(O6)(O[W]6(O[W]%15(O7)(=O)O[W](=O)(O8)(O%12)O[W](O1)(O[W](O%14)(O6)(=O)O%11)(O%15)(=O)O%13)(=O)(O2)O5)=O)=O)(=O)O3)(O9)O%10)O4)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 29.166 Å
• b: 38.497 Å
• c: 37.405 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41998.1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No