Information card for entry 1577377

Structure parameters

• Formula: C133 H104 Ag Au12 Cl N5 O3 P6 S5
• Calculated formula: C133 H104 Ag Au12 Cl N5 O3 P6 S5
• Title of publication: Enhancing multiphoton absorption in atomically precise (AuAg)₁₃ clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.
• Authors of publication: Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2026
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 10671 - 10681
• a: 15.999 ± 0.003 Å
• b: 16.75 ± 0.002 Å
• c: 30.139 ± 0.004 Å
• α: 86.732 ± 0.012°
• β: 89.337 ± 0.014°
• γ: 87.829 ± 0.013°
• Cell volume: 8057 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No