Information card for entry 1569650

Structure parameters

• Formula: C176 H208 Al Bi8 O22
• Calculated formula: C176 H208 Al Bi8 O22
• SMILES: c12O[Bi]34[O]5[Al]6789[O]%10[Bi]%11%125[O]5c%13c%14Cc%15c%16O[Bi]%17%185[O]6[Bi]56Oc%19c(Cc%20c([O]%175)c(Cc5c(c(Cc%16cc(c%15)C(C)(C)C)cc(c5)C(C)(C)C)O%18)cc(c%20)C(C)(C)C)cc(C(C)(C)C)cc%19Cc5c(c(Cc1cc(cc2Cc1c(c(Cc%13cc(c%14)C(C)(C)C)cc(c1)C(C)(C)C)[O]4%11)C(C)(C)C)cc(c5)C(C)(C)C)[O]3[Bi]12([O]96)[O]7[Bi]34Oc5c6Cc7c([O]%124)c(cc(c7)C(C)(C)C)Cc7c9O[Bi]%11%10[O]8[Bi]8%10%12[O]2c2c(cc(cc2Cc2c(c(cc(c2)C(C)(C)C)Cc5cc(c6)C(C)(C)C)[O]13)C(C)(C)C)Cc1c(O%10)c(cc(c1)C(C)(C)C)Cc1c(O%12)c(cc(c1)C(C)(C)C)Cc1c([O]8%11)c(Cc9cc(c7)C(C)(C)C)cc(c1)C(C)(C)C
• 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: 22.561 ± 0.0004 Å
• b: 22.561 ± 0.0004 Å
• c: 80.946 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41201 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No