Information card for entry 1569652

Structure parameters

• Formula: C264 H312 Bi20 N O47
• Calculated formula: C264 H312 Bi20 N O47
• SMILES: [Bi]1234[O]5[Bi]6([O]78[Bi]9%10%11[O]%12%13[Bi]%14%15%16%177[O]7%18[Bi]%19%20%21[O]%14c%14c%22Cc%23c(O%20)c(Cc%20cc(cc(Cc%24c%25[O]%19[Bi]%19%26%27%28%18[O]%18[Bi]%29%3087[O]78[Bi]%31%32%33[O]1c1c%34Cc%35c%36[O]%31[Bi]%31%377([O]7%38[Bi]%39%40%41[O]%42[Bi]%43%44([O]%45[Bi]%46%47%48%49[O]%50[Bi]%51%52%53[O]%54[Bi]%55%565%50[O]%46([Bi]([O]6%55)([O]%49[Bi]%12%45[O]%44)[O]%15)[Bi]56%12Oc%15c%44Cc%45c(O5)c(cc(c%45)C(C)(C)C)Cc5c([O]%56%12)c(Cc%12c%54c(Cc%45c([O]3%53)c(cc(c%45)C(C)(C)C)Cc3c([O]%43%52)c(cc(C(C)(C)C)c3)Cc3c([O]%47%51)c(cc(c3)C(C)(C)C)Cc3c([O]%486)c(Cc%15cc(c%44)C(C)(C)C)cc(c3)C(C)(C)C)cc(c%12)C(C)(C)C)cc(c5)C(C)(C)C)[O]9%37[Bi]%137([O]%19[Bi]3%188%38([O]%41c5c(Cc6c([O]%323)c(Cc3c(O%33)c(cc(C(C)(C)C)c3)Cc1cc(C(C)(C)C)c%34)cc(c6)C(C)(C)C)cc(cc5Cc1c(O%40)c(cc(c1)C(C)(C)C)Cc1c%42c(Cc3c([O]%31%39)c(Cc%36cc(c%35)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C)ON(=[O]%27)=O)([O]%17%28[Bi]135Oc6c(cc(cc6Cc6c(O5)c(Cc5c([O]%163)c(Cc%14cc(C(C)(C)C)c%22)cc(c5)C(C)(C)C)cc(c6)C(C)(C)C)C(C)(C)C)Cc3c([O]%261)c(cc(c3)C(C)(C)C)Cc%25cc(c%24)C(C)(C)C)[O]%11%30)[O]4%10%29)c%20O%21)C(C)(C)C)cc(c%23)C(C)(C)C)O2
• Title of publication: Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO₂ electroreduction.
• Authors of publication: Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 33
• Pages of publication: 8962 - 8969
• a: 22.208 ± 0.002 Å
• b: 37.888 ± 0.004 Å
• c: 44.949 ± 0.004 Å
• α: 90°
• β: 100.421 ± 0.004°
• γ: 90°
• Cell volume: 37197 ± 6 ų
• Cell temperature: 290.56 K
• Ambient diffraction temperature: 290.56 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No