Information card for entry 7060806

Structure parameters

• Formula: C120 H80 Ag6 B2 N20 O80 W24
• Calculated formula: C120 H80 Ag6 B2 N20 O80 W24
• SMILES: [W]12345O[W]678(O[W]9%10%11([O]%12%13[W]%14%15(O[W]%16%17%18([O]%19%20[W](O1)(=[O][Ag]1([n]%21c%22c%23[n]1cccc%23ccc%22ccc%21)[O]=[W]1%21%22%23O[W]%24%25%26(O[W]%27%28%29([O]%30%31[W]%32%33(O[W]%34%35%36([O]%37%38[W](O1)(=[O][Ag]1([n]%39c%40c%41[n]1cccc%41ccc%40ccc%39)[O]=4)(O%36)(O[W]14([O]%36%39[W]%40(O[W]%36(O%34)(O%33)(O4)=O)(O[W](O%25)(O[W]%30(O%32)(O%28)(O%40)=[O][Ag]4%25([n]%28c%30c%32[n]4cccc%32ccc%30ccc%28)[n]4c%28c%30[n]%25cccc%30ccc%28ccc4)([O]%21%26[B]%31%38%39)(O%23)=O)(O1)=O)(O%22)=O)O[W]%37(O%24)(O%35)(O%27)=O)=O)(O%29)=O)=O)=[O][Ag]14([n]%21cccc%22c%21c%21[n]1cccc%21cc%22)[n]1c%21c%22[n]4cccc%22ccc%21ccc1)(O%18)(O[W]14([O]%18%21[W]%22(O[W]%18(O%16)(O%15)(O4)=O)(O[W](O7)(O[W]%12(O%14)(O%10)(O%22)=[O][Ag]47([n]%10c%12c%14[n]4cccc%14ccc%12ccc%10)[n]4c%10c%12[n]7cccc%12ccc%10ccc4)([O]28[B]%13%20%21)(O5)=O)(O1)=O)(O3)=O)O[W]%19(O6)(O%17)(O9)=O)=O)(O%11)=O)=O)=[O][Ag]12([n]3cccc4c3c3[n]1cccc3cc4)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: A {BW12O40} hybrid decorated by Ag+ for use as a supercapacitor electrode material and photocatalyst
• Authors of publication: Liang, Qiu-Lan; Du, Na-Na; Gong, Li-Ge; Wang, Chun-Xiao; Wang, Chun-Mei; Yu, Kai; Zhou, Bai-Bin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14444 - 14450
• a: 14.3019 ± 0.001 Å
• b: 14.942 ± 0.0011 Å
• c: 21.4307 ± 0.0015 Å
• α: 74.057 ± 0.001°
• β: 86.379 ± 0.001°
• γ: 65.419 ± 0.001°
• Cell volume: 3997.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No