Information card for entry 4120082

Structure parameters

• Common name: Au28(SR)20
• Formula: C200 H260 Au28 S20
• Calculated formula: C160 Au28 S20
• SMILES: [Au]12345[Au]6789[Au]%10%11%123[Au]3%13%14([Au]%15%16%17%18[Au]%19%20%213[Au]3%22%232[Au]2%24%251[Au]1%264%22[Au]47[S]([Au]([Au]56%11%20[S]([Au][S]([Au]5[Au]%13%18%19([Au]6([Au]7%11%16([Au]%153([Au]%10%1727[S]([Au]%24S4)c2ccc(cc2)C)([Au]([S]%23c2ccc(cc2)C(C)(C)C)[S]6c2ccc(cc2)C(C)(C)C)[S]([Au][S]([Au]1[S]%26c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)[Au]([S]([Au][S]%25c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)[S]%11c1ccccc1)[S]([Au]%14[S]%12c1ccc(cc1)C(C)(C)C)c1ccccc1)[S]5c1ccccc1)c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)(C)C)[S]%21c1ccc(cc1)C(C)C)c1ccccc1)[S]([Au][S]([Au]8[S]9c1ccccc1)c1ccc(cc1)C(C)C)c1ccccc1
• Title of publication: Chiral Structure of Thiolate-Protected 28-Gold-Atom Nanocluster Determined by X-ray Crystallography
• Authors of publication: Chenjie Zeng; Tao Li; Anindita Das; Nathaniel L. Rosi; Rongchao Jin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10011 - 10013
• a: 16.9903 ± 0.0014 Å
• b: 24.271 ± 0.002 Å
• c: 33.979 ± 0.003 Å
• α: 105.701 ± 0.004°
• β: 98.249 ± 0.004°
• γ: 91.642 ± 0.004°
• Cell volume: 13316 ± 2 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.1749
• Residual factor for significantly intense reflections: 0.1482
• Weighted residual factors for significantly intense reflections: 0.3614
• Weighted residual factors for all reflections included in the refinement: 0.3822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No