Information card for entry 1571065

Structure parameters

• Formula: C120 H204 Au12 Cd2 S12
• Calculated formula: C120 H204 Au12 Cd2 S12
• SMILES: [Au]12345[Au]6789[Au]%10[S]([Cd]%11%1237[Au]37%13([Au]%14%15%11([Au]7([S]([Au]7%14[Cd]48%13([S]([Au]1[S]([Au]2[S]%10[C@H]1C([C@@H]2C[C@]1(CC2)C)(C)C)[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C)[C@H]1C(C)([C@@H]2C[C@]1(CC2)C)C)[S]7[C@@H]1[C@@]2(C)C[C@H](CC2)C1(C)C)[C@@H]1[C@]2(C[C@@H](C1(C)C)CC2)C)[S]([Au]3[S]%12[C@@H]1[C@]2(C)CC[C@@H](C2)C1(C)C)[C@H]1C([C@@H]2C[C@]1(CC2)C)(C)C)[Au]6([S]%15[C@@H]1[C@]2(C[C@H](CC2)C1(C)C)C)[S]9[C@@H]1[C@]2(C[C@H](CC2)C1(C)C)C)[S]([Au][S]5[C@H]1C([C@@H]2C[C@]1(CC2)C)(C)C)[C@@H]1[C@]2(C[C@@H](C1(C)C)CC2)C)[C@@H]1[C@]2(C)CC[C@H](C1(C)C)C2
• Title of publication: Construction of an Au₁₂Cd₂ nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.
• Authors of publication: Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 4853 - 4859
• a: 22.8453 ± 0.0003 Å
• b: 23.793 ± 0.0003 Å
• c: 26.4043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14352.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No