Information card for entry 4118605

Structure parameters

• Formula: C166 H158 Au20 Cl10 N20 O8 P10
• Calculated formula: C166 H134 Au20 Cl10 N20 O8 P10
• SMILES: [P]([Au]1234[Au]56789%10%11[Au]%12%13%14%15[Au]%1626([P](c2ccccn2)(c2ncccc2)c2ccccc2)[Au]267%12[Au]7%12%178([Au]8%18%19([P](c%20[n]6cccc%20)(c6ncccc6)c6ccccc6)[Au]6%20%21%22%23%24%25[Au]%26%27%28%29[Au]%303%136([Au]349([Au]415(Cl)[Au]%10%162([P](c1ncccc1)(c1ncccc1)c1ccccc1)[Au]1%11734[P](c2[n]([Au]%12%22%271[Au]1%24%28([P](c3ncccc3)(c3ncccc3)c3ccccc3)[Au]3%20%26([P](c4ncccc4)(c4ncccc4)c4ccccc4)[Au]%148%21%30([P](c4[n]%15cccc4)(c4ncccc4)c4ccccc4)[Au]%18%233(Cl)[Au]%17%19%251[P](c1ncccc1)(c1ncccc1)c1ccccc1)cccc2)(c1ncccc1)c1ccccc1)[P](c1[n]%29cccc1)(c1ncccc1)c1ccccc1)Cl)Cl)(c1ncccc1)(c1ncccc1)c1ccccc1.C(Cl)Cl.CO.CO.[Cl-].O.O.C(Cl)Cl.CO.CO.[Cl-].O.O
• Title of publication: Au20 Nanocluster Protected by Hemilabile Phosphines
• Authors of publication: Xian-Kai Wan; Zhi-Wei Lin; Quan-Ming Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14750 - 14752
• a: 17.5796 ± 0.0005 Å
• b: 18.0261 ± 0.0005 Å
• c: 18.1007 ± 0.0006 Å
• α: 118.07 ± 0.003°
• β: 94.307 ± 0.002°
• γ: 110.248 ± 0.003°
• Cell volume: 4548.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No