Information card for entry 1569651

Structure parameters

• Formula: C352 H416 Bi24 O59
• Calculated formula: C352 H416 Bi24 O59
• SMILES: c12O[Bi]34Oc5c6cc(cc5Cc1cc(cc2Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c([O-])c(Cc2cc(C(C)(C)C)cc5c2O[Bi]27[O](c8c(cc(cc8C5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)C6)O2)[Bi]256[O]89[Bi]%10%11%12[O]%13c%14c%15cc(cc%14Cc%14c%16c(cc(C(C)(C)C)c%14)Cc%14c([O-])c(cc(c%14)C(C)(C)C)Cc%14cc(cc(c%14[O-])Cc%14c%17c(Cc%18c%19O[Bi]%20(Oc%21c(Cc%22c(O[Bi]%13([O]%13[Bi]%23%24[O]%10[Bi]%10%25[O]%26[Bi]%27O[Bi]%28[O]2[Bi]2%29[O]%30[Bi]%31%328[O]([Bi]8%13O[Bi]%13[O]%12[Bi]%12([O]5[Bi]([O]3%10)([O]%11%25)[O]7%27)[O]3[Bi]%30([O]%13[Bi]57[O]%31c%10c%11cc(cc%10Cc%10c(c(cc(C(C)(C)C)c%10)Cc%10c([O-])c(cc(c%10)C(C)(C)C)Cc%10cc(cc(c%10[O-])Cc%10c%13c(Cc%25c%27O[Bi]3([O]c3c(cc(cc3Cc%27cc(c%25)C(C)(C)C)C(C)(C)C)Cc3c(O5)c(cc(c3)C(C)(C)C)C%11)O%13)cc(c%10)C(C)(C)C)C(C)(C)C)[O]87)C(C)(C)C)[O]6%12)[Bi]3([O]5[Bi]9%26([O]6c7c8cc(cc7Cc7c9c(cc(C(C)(C)C)c7)Cc7c([O-])c(cc(c7)C(C)(C)C)Cc7cc(cc(c7[O-])Cc7c%10c(Cc%11c%12O[Bi]%13(Oc%25c(cc(cc%25Cc%12cc(c%11)C(C)(C)C)C(C)(C)C)Cc%11c(O[Bi]6([O]%28[Bi]5([O]2%13)[O]%29%32)O9)c(cc(c%11)C(C)(C)C)C8)O%10)cc(c7)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]%243)[O]%20%23)[O]%16)c(cc(c%22)C(C)(C)C)C%15)cc(cc%21Cc%19cc(c%18)C(C)(C)C)C(C)(C)C)O%17)cc(c%14)C(C)(C)C)C(C)(C)C)C(C)(C)C)cc(c1)C(C)(C)C)[O-])O4)C(C)(C)C)C(C)(C)C.O.O.O.O
• 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: 35.3979 ± 0.0008 Å
• b: 35.3979 ± 0.0008 Å
• c: 67.034 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 83994 ± 5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290.56 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No