Information card for entry 1569653

Structure parameters

• Formula: C538 H654 Bi40 Mo2 N6 O98
• Calculated formula: C538 H654 Bi40 Mo2 N6 O98
• 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: 22.5724 ± 0.0015 Å
• b: 23.0297 ± 0.0014 Å
• c: 36.361 ± 0.002 Å
• α: 92.631 ± 0.004°
• β: 103.905 ± 0.004°
• γ: 115.578 ± 0.003°
• Cell volume: 16306.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No