Information card for entry 7042968

Structure parameters

• Formula: C137 H294 Bi2 N11 O73 Si2 W20
• Calculated formula: C137 H294 Bi2 N11 O73 Si2 W20
• SMILES: [W]1234(O[Bi]567O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13%14(O[Bi]%15%16(O[W]%17%18(=O)(O%12)O[W]%12%19(O2)(=O)[O]2%20[W]%21(O4)(O%12)(O[W]4(O9)([O]1([W](O%14)(O%11)(O[W]2(O%18)(O%19)(O%21)=O)(O4)=O)[Si]%20([O]358)[O]%13%17)(O%10)=O)=O)(O[W]123(=O)O[W]45(O%15)(=O)O[W]89%10(O[W]%11%12(O6)(=O)O[W]6%13(O7)(=O)O[W]7%14(O1)(=O)[O]1%15[W]%17(O%13)(O7)(O[W]7(O%12)([O]8([W](O5)(O%10)(O[W]1(O3)(O%14)(O%17)=O)(O7)=O)[Si]%15([O]%116)[O]%1624)(O9)=O)=O)=O)[O]=C(C)C)=O)=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.N#CC.CC#N.N#CC
• Title of publication: Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates
• Authors of publication: Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.3943 ± 0.0003 Å
• b: 19.343 ± 0.0002 Å
• c: 28.449 ± 0.0004 Å
• α: 90°
• β: 110.479 ± 0.0006°
• γ: 90°
• Cell volume: 10513.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No