Information card for entry 1575007

Structure parameters

• Formula: C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9
• Calculated formula: C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9
• Title of publication: Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting
• Authors of publication: Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 8910 - 8921
• a: 26.3081 ± 0.0016 Å
• b: 31.481 ± 0.002 Å
• c: 32.9947 ± 0.0019 Å
• α: 71.067 ± 0.004°
• β: 86.315 ± 0.004°
• γ: 89.79 ± 0.004°
• Cell volume: 25790 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 11
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.2834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No