Information card for entry 1569649

Structure parameters

• Formula: C93 H121 Bi4 N2 O13
• Calculated formula: C93 H121 Bi4 N2 O13
• SMILES: [Bi]123([O]4[Bi]567[O]8[Bi]9%10([O]1[Bi]1%11%12Oc%13c%14cc(cc%13Cc%13c(O%11)c(cc(c%13)C(C)(C)C)Cc%11c([O]9%12)c(Cc9c8c(cc(c9)C(C)(C)C)Cc8c(O5)c(Cc5c(O6)c(cc(c5)C(C)(C)C)Cc5c4c(cc(c5)C(C)(C)C)Cc4c([O]21)c(cc(c4)C(C)(C)C)C%14)cc(c8)C(C)(C)C)cc(c%11)C(C)(C)C)C(C)(C)C)([O]37)([NH2]CC[NH2]%10)[OH]C)([OH]C)[OH]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: 16.57 ± 0.004 Å
• b: 17.36 ± 0.004 Å
• c: 19.896 ± 0.005 Å
• α: 67.924 ± 0.011°
• β: 78.114 ± 0.012°
• γ: 83.852 ± 0.011°
• Cell volume: 5187 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No