Information card for entry 1569648

Structure parameters

• Formula: C90 H112 Bi4 N2 O10
• Calculated formula: C90 H112 Bi4 N2 O10
• SMILES: [Bi]123[O]4[Bi]567[O]3[Bi]38([O]9[Bi]%10%11([O]7c7c%12cc(cc7Cc7c(O6)c(Cc6cc(cc(Cc%13c(O2)c(Cc2c(O1)c(cc(c2)C(C)(C)C)Cc1c9c(Cc2cc(cc(c2O%10)Cc2c(O%11)c(cc(c2)C(C)(C)C)C%12)C(C)(C)C)cc(c1)C(C)(C)C)cc(C(C)(C)C)c%13)c64)C(C)(C)C)cc(C(C)(C)C)c7)C(C)(C)C)[O]53)[NH2]CC[NH2]8
• 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: 25.93 ± 0.06 Å
• b: 13.52 ± 0.03 Å
• c: 30.86 ± 0.07 Å
• α: 90°
• β: 106.94 ± 0.06°
• γ: 90°
• Cell volume: 10349 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 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: 0.0749
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• 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