Information card for entry 7042970

Structure parameters

• Formula: C114 H255 Bi4 N7 O75 Si2 W20
• Calculated formula: C2 H3 Bi4 O75 Si2 W20
• SMILES: CC1=[O][Bi]23(O1)[O]1[W]456(=O)O[W]789(=O)[O]3[Bi]3%10[O]2[W]2%11%12(=O)O[W]%13%14(O3)(=O)O[W]3%15%16(=O)O[W]%17%18%19(=O)O[Bi]%201[O]([W]1%21(=O)(O%17)O[W]%17%22(O%11)(=O)[O]%11%23[Si]([O]%12%13)([O]%181)[O]13[W]3(O%14)(O%15)(=O)O[W]%11(O2)(O%17)(=O)O[W]%23(O%21)(O%22)(=O)O[W]1(O%19)(O%16)(O3)=O)[Bi]1([O]%10%20)O[W]23%10(=O)O[W]%11%12(O1)(=O)O[W]1%13(O6)(=O)[O]6%14[Si]([O]2%11)([O]47)[O]24[W]7(O3)(O9)(=O)O[W]34(O%10)(=O)O[W]6(O%12)(O1)(=O)O[W]%14(O5)(O%13)(=O)O[W]2(O8)(O7)(O3)=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: 30.8709 ± 0.0002 Å
• b: 33.9407 ± 0.0003 Å
• c: 19.3936 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20320.2 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No