Information card for entry 7056681

Structure parameters

• Formula: C128 N15 O69 Si2 W20 Zn
• Calculated formula: C128 N15 O69 Si2 W20 Zn
• SMILES: [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.O=[W]123(=O)O[W]456(=O)O[W]789([O]%10[W]%11%12(O[W]%13%14%15(=O)O[W]%16%17%18(=O)O[W]%19%20%21(=O)O[W]%22%23%24(O[Zn]%10(O[W]%10%25(=O)(O[W]%26%27(=O)(O[W]%28%29(O[W]%30(=O)(O%27)(O[W](O8)(=O)(O%14)(O%29)[O]%13[Si]([O]%26%28%30)([O]%18%21[W](O%17)(O%20)(O%15)(O%24)=O)[O]%22%25)O%16)(O%10)=O)O%19)O%23)[N]#CC)=O)(=O)[O]9[Si]89[O]1[W]1([N]#CC)(=O)(O2)O[W]2%10%13(=O)O[W]%14(=O)(O%11)(O[W](=O)(O1)(O%12)(O%13)[O]92%14)O[W]1(=O)(O[W](=O)(O3)(O6)([O]481)O%10)(O7)O5)=O.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Visible-light-responsive catalysis of a zinc-introduced lacunary disilicoicosatungstate for deoxygenation of pyridine N-oxides
• Authors of publication: Jeong, Jinu; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13226 - 13229
• a: 18.2388 ± 0.0001 Å
• b: 51.6192 ± 0.0004 Å
• c: 20.9479 ± 0.0002 Å
• α: 90°
• β: 102.414 ± 0.0003°
• γ: 90°
• Cell volume: 19260.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No