Information card for entry 4128331

Structure parameters

• Formula: C144 H162 Au24 Pd S18
• Calculated formula: C144 H162 Au24 Pd S18
• SMILES: [S]1([Au]23[Au]45[Au]67[S](CCc8ccccc8)[Au][S](CCc8ccccc8)[Au][S]([Au]89[Au]%10%11[S]([Au][S](CCc%12ccccc%12)[Au][S]([Au]%12%13[Au]%14([S]([Au][S]([Au][S]4CCc4ccccc4)CCc4ccccc4)CCc4ccccc4)[Au]4([S]([Au][S]([Au]1)CCc1ccccc1)CCc1ccccc1)[Au]18[S](CCc8ccccc8)[Au][S](CCc8ccccc8)[Au][S]([Au]86[Au]6%12[S]([Au][S](CCc%12ccccc%12)[Au][S]([Au]2%10[Pd]3579%11%13%144186)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1
• Title of publication: Efficient and Selective Conversion of Phosphine-Protected (MAu₈)²⁺ (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu₁₂)⁶⁺ or Alkynyl-Protected (MAu₁₂)⁴⁺ Superatoms via Hydride Doping.
• Authors of publication: Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15994 - 16002
• a: 13.5826 ± 0.0015 Å
• b: 16.0653 ± 0.0016 Å
• c: 19.6261 ± 0.0019 Å
• α: 112.202 ± 0.007°
• β: 97.322 ± 0.009°
• γ: 94.939 ± 0.007°
• Cell volume: 3890.5 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No