Information card for entry 1577423

Structure parameters

• Formula: C412 H288 Cl2 Cu50 F72 P S
• Calculated formula: C402 H276 Cu50 F72 P6 S36
• Title of publication: Ligand-Controlled Engineering of Cu–H Active Sites on Cu25 Hydride Nanoclusters for Efficient CO2 Electroreduction
• Authors of publication: Xiang, Zongchen; Zuo, Yang; Zhai, Xinru; Ma, Along; Zhu, Yu; Kang, Yikun; Ma, Xiaoshuang; Wang, Shuxin
• Journal of publication: Nanoscale
• Year of publication: 2026
• a: 19.1237 ± 0.0008 Å
• b: 19.9019 ± 0.001 Å
• c: 32.3253 ± 0.0015 Å
• α: 81.236 ± 0.002°
• β: 85.898 ± 0.001°
• γ: 65.669 ± 0.002°
• Cell volume: 11078.8 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No