Information card for entry 7047692

Structure parameters

• Formula: Cu14 H62 Na9 O195 Si4 Te10 W36
• Calculated formula: Cu14 Na9 O175.5 Si4 Te10 W36
• SMILES: O1[W]234(=O)=[O][Cu]567[O]8[Cu]9%10[O]6[Te]6[O]%11[Cu]%12%13[O]%14[Cu]%15%16%17[O]%18[Cu]%19%20[O]%15[Te]%15[O]%13[Cu]%13%11[O]%11[Te](O[Cu]%21%22O[W]%23%24(O[W]%25(O2)(=O)(O[W]21(O[W]1%26([O]%27[Si]8([O]4%25)[O]48[W]%25(O3)(=[O]5)(=O)O[W]4(O[W]8(O[W]%27(O1)(O9)(O%24)=O)(=[O][Te]1(=O)[O]=[W]345([O]89[Si]%24%27[O]%28[Cu]%29([O]6[Cu]6%28([O]=[W]%28%30%31([O]%32%24[W]%24%33(O[W]%34%32(O%31)(=O)O[W]9(=O)(O[W]9%31([O]%32%27[W](=[O]%29)(O9)(O3)(O[W]%32(=[O][Cu](O[Te]%14=O)(O[Te](O%22)=O)[O]=%24)(O%33)(O%31)=O)=O)(O%34)=O)(O4)O[W]8(=O)(O%28)(=[O]6)O5)(O%30)=O)=O)[O]%12[Te](O[Cu]34O[Te](O[Cu]5([O]=[W]68(O[W]9%12(O[W]%14%22%24(O[W]%27(O[W]%28%29([O]%30[W]%31(O[W]%32%33%34(O[W]%35(O[W]%36(O%22)(=[O][Cu]%22%11([O]=%14)[O]([Cu]([O]=%31)([O]%15%22)[O]%20[Te]([O]=%33)([O]=[W]%11%14%15([O]%20%22[Si]%31%18[O]%18%33[W]%37%38(O[W]%22(=O)(O%15)(=[O]%17)O[W]%15%20(O[W]%17%33(O[W]%18(O%37)(=[O]4)(O[W]4%18([O]%20%31[W](=[O]%19)(O[W]%20(O%17)(O%15)(O%18)=O)(O%11)(O4)=O)(=[O]3)=O)=O)(O%38)=O)(=O)O%14)(=O)=[O]%16)=O)=O)[Si]%30([O]%12%24)[O]%32%35%36)(=O)O%34)(O%29)(=O)O%27)=O)(O%28)(O8)=O)(=O)O6)(O9)=O)=O)(=O)=[O]5)=O)O[Te]([O]7%13)=O)=O)=O)[O]%101)=O)(O%25)=O)(O%26)(=O)O2)(=O)O%23)=O)=[O]%21)=O)=O.[Na+].O.O.[Na+].O.O.[Na+].[Na+].[Na+].O.O.[Na+].O.O.O.[Na+].[Na+].[Na+].O.O.O
• Title of publication: An unprecedented {CuTe} core incorporated in a 36-tungsto-4-silicate polyoxometalate with visible light-driven catalytic hydrogen evolution activity.
• Authors of publication: Chen, Wei-Chao; Wu, Si-Tong; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16403 - 16407
• a: 34.7169 ± 0.0013 Å
• b: 34.7169 ± 0.0013 Å
• c: 45.3651 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 54677 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No