Information card for entry 4122812

Structure parameters

• Formula: C160 H240 Au24 S16
• Calculated formula: C160 H240 Au24 S16
• SMILES: [Au]123[Au]4567[Au]89%10%11%12%13[Au]%14%15([Au]%16%17%188([Au]8%19149%14[Au]149%14([Au]([S]3C3%20CC%21CC(CC(C3)C%21)C%20)[S]%14C3%14CC%20CC(CC(C3)C%20)C%14)[Au]3%14([Au]%20%21%22%23%16[Au]%16%24%25%26%10%17813[Au]1385%114[Au]6([S]7C45CC6CC(CC(C4)C6)C5)[S]([Au]453[Au]3%121([Au]16%18%20%16[Au]7%10%11%12([Au]%21([S]%23C%16%17CC%18CC(CC(C%16)C%18)C%17)[S]%12C%12%16CC%17CC(CC(C%12)C%17)C%16)[Au]%12([Au]%16%17%18%2417([Au]1%22%25%10([Au]9%2684%16[S]([Au]4%171[Au]%11%18([S]4C14CC7CC(CC(C1)C7)C4)[S]%12C14CC7CC(CC(C1)C7)C4)C14CC7CC(CC(C1)C7)C4)[S]%14C14CC7CC(CC(C1)C7)C4)[S]53C13CC4CC(CC(C1)C4)C3)[S]6C13CC4CC(CC(C1)C4)C3)[S]%13C13CC4CC(CC(C1)C4)C3)C13CC4CC(CC(C1)C4)C3)[S]%19C13CC4CC(CC(C1)C4)C3)[S]%15C13CC4CC(CC(C1)C4)C3)[S]2C12CC3CC(CC(C1)C3)C2
• Title of publication: Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18.
• Authors of publication: Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14933 - 14940
• a: 16.362 ± 0.003 Å
• b: 19.9 ± 0.003 Å
• c: 32.189 ± 0.005 Å
• α: 89.736 ± 0.009°
• β: 77.79 ± 0.008°
• γ: 80.239 ± 0.009°
• Cell volume: 10090 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.28 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: 0.0902
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No