Information card for entry 1559955

Structure parameters

• Formula: C224 H252 Au44 S28
• Calculated formula: C224 H252 Au44 S28
• SMILES: c1c(cc(cc1[S]1[Au]2[S]([Au]3[S]([Au]4567[Au]89%10%11%12[S](c%13cc(cc(c%13)C)C)[Au]%135[S](c5cc(cc(c5)C)C)[Au]5[S](c%14cc(cc(c%14)C)C)[Au]%14%15%16[Au]%17%18%19%20%21%22[Au]%23%24%25%26%27%289[Au]9%2928[S](c2cc(cc(c2)C)C)[Au][S](c2cc(cc(c2)C)C)[Au]2[S](c8cc(cc(c8)C)C)[Au]8%30%31%322[Au]2%33[S]([Au]%34%35%36%22%26[Au]%22%26%21%25[Au]%21%25%37%14[Au]%14%38%396%10%18%24[Au]6%10%18%244%17%23[Au]4%177%38[S](c7cc(cc(c7)C)C)[Au]7[S](c%23cc(cc(c%23)C)C)[Au]%23[S]([Au]%38%40%15%19%23[Au]%16%2047[S](c4cc(cc(c4)C)C)[Au]4%17[S](c7cc(cc(c7)C)C)[Au]7%15%16%17[Au]%19%20%12%289%18[Au]9%12%18%278%35%10[Au]%33%346([S]([Au]%40[S]([Au]%26%38[S]%37c6cc(cc(c6)C)C)c6cc(cc(c6)C)C)c6cc(cc(c6)C)C)[Au]%244%15%12[S](c4cc(cc(c4)C)C)[Au]%17[S](c4cc(cc(c4)C)C)[Au]4[S]([Au]37%194[Au]%16%20([S](c3cc(cc(c3)C)C)[Au]%31[S]2c2cc(cc(c2)C)C)[Au]1%29%309[Au]%32%36%18[S]([Au][S](c1cc(cc(c1)C)C)[Au]%11%25%39[Au]1%135%21%14[S](c2cc(cc(c2)C)C)[Au]1[S](c1cc(cc(c1)C)C)[Au][S]%22c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)C)C
• Title of publication: Cd-driven surface reconstruction and photodynamics in gold nanoclusters
• Authors of publication: Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 3290 - 3294
• a: 45.692 ± 0.002 Å
• b: 45.692 ± 0.002 Å
• c: 77.435 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 140007 ± 11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No