Information card for entry 4102578

Structure parameters

• Formula: C196 H216 Au38 S24
• Calculated formula: C180 H184 Au38 S24
• SMILES: c1cccc(CC[S]2[Au]345[Au]6789%10%11%12[Au]%13%14%15%16%17%18%19%20%21%22[Au]%23%24%25%26%27%28%29%30%31[Au]%32%33%34%35%36%37%38[Au]%39%40%41%42%43%44%23[Au]%23%45%46%47%48%49%50%51%25%33[Au]%25%33%52%53%54%55%56%57[Au]%58%59%60%61%28%39%45[Au]%28%39%456%17%29%46%25([Au]6%17%25%29%46%14%26%34%23[Au]%14%23%26%34%13%24%32[Au]%13%24%32%62%63%156[Au]6%15%64%65%66%67%19%23[Au]%19%23%68%16%27%14([Au]%14%167%18%30%58%39[Au]7%23([Au]4%10%22%65%68%14([Au]6%19([S]7CCc4ccccc4)[S]%67CCc4ccccc4)([Au]4639%21%24%15([Au]38%20%45%25%13([Au]789%47%33%28%17[Au]%10%13%14%15%17%18%48%52[Au]%19%20%21%22%35%40%49([Au]%23%24%41%50%53%59%10([Au]%43%20([S]%24CCc%10ccccc%10)[S]([Au]%37%42%19[S]%38CCc%10ccccc%10)CCc%10ccccc%10)[Au]%54%60([S]([Au]%55%17%23[S]%18CCc%10ccccc%10)CCc%10ccccc%10)[S]%61CCc%10ccccc%10)[Au]%10%17%36%51%297%13([Au]%46([S]%17CCc7ccccc7)[S]%63CCc7ccccc7)[Au]%14%21([S]([Au]8%15%10[S]9CCc7ccccc7)CCc7ccccc7)[S]%22CCc7ccccc7)[Au]2%114[S]3c2ccccc2)[Au]%62%66([S]([Au]%26%32%64[S]%34CCc2ccccc2)CCc2ccccc2)[S]6CCc2ccccc2)[S]5CCc2ccccc2)[S]%16CCc2ccccc2)[S]([Au]%31[S]%44CCc2ccccc2)CCc2ccccc2)[Au]%56([S]%57CCc2ccccc2)[S]%12CCc2ccccc2)c1
• Title of publication: Total Structure Determination of Thiolate-Protected Au38 Nanoparticles
• Authors of publication: Huifeng Qian; William T. Eckenhoff; Yan Zhu; Tomislav Pintauer; Rongchao Jin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8280 - 8281
• a: 19.107 ± 0.002 Å
• b: 22.61 ± 0.003 Å
• c: 28.544 ± 0.006 Å
• α: 98.529 ± 0.011°
• β: 96.193 ± 0.012°
• γ: 114.274 ± 0.008°
• Cell volume: 10920 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2424
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No