Information card for entry 1553987

Structure parameters

• Formula: C102 H92 Au8 Cl6 P8 S2
• Calculated formula: C102 H92 Au8 Cl6 P8 S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au]2345[S]6[Au]78[P](C[P](c9ccccc9)(c9ccccc9)[Au]9%1057[Au]52([P](C[P]([Au]25[Au]3([P](C1)(c1ccccc1)c1ccccc1)[S]92)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Au]14%10[P](C[P]([Au]681)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[Cl-].C(Cl)Cl.[Cl-]
• Title of publication: Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au₁₃ and heart-shaped Au₈ clusters.
• Authors of publication: Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1251 - 1258
• a: 27.105 ± 0.006 Å
• b: 29.82 ± 0.007 Å
• c: 28.748 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23236 ± 9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No