Information card for entry 7042969

Structure parameters

• Formula: C124 H273 Bi2 Cl10 N7 O69 Si2 W18
• Calculated formula: C124 H273 Bi2 Cl10 N7 O69 Si2 W18
• SMILES: [W]1234(O[Bi]567O[W]89(=O)(O[W]%10%11%12([O]=C(O[W]%13%14(=O)(O[W]%15%16%17(O[Bi]%18%19(O[W]%20(=O)(O1)(O%15)[O]%16[Si]([O]358)([O]%11%13)[O]13[W]5(O4)(O%20)(O[W]3(O%12)(O9)(O[W]1(O%17)(O%14)(O5)=O)=O)=O)O[W]134(=O)O[W]58(O6)(=O)O[W]69(O7)(=O)O[W]7%11(=O)(=O)O[W]%12%13(=O)(=O)O[W]%14(O%18)(=O)(O1)[O]%193[Si]([O]56)([O]7%12)[O]13[W]5(O8)(O4)(O[W]3(O%11)(O9)(O[W]1(O%14)(O%13)(O5)=O)=O)=O)=O)O%10)C)=O)O2)=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.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.O
• 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: 21.9888 ± 0.0001 Å
• b: 26.3027 ± 0.0002 Å
• c: 34.9296 ± 0.0002 Å
• α: 90°
• β: 100.928 ± 0.0004°
• γ: 90°
• Cell volume: 19835.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No