Information card for entry 4510222

Structure parameters

• Formula: C36 H90 Au25 S18
• Calculated formula: C36 H90 Au25 S18
• SMILES: C(C)[S]1[Au]2345[Au]6789%10%11%12%13%14%15[Au]%16%17%18%192[S](CC)[Au][S](CC)[Au][S]([Au]2%20%21%22%13[Au]%13%2337%17[S](CC)[Au][S](CC)[Au][S]([Au]37%175%15[Au]5%15%246%16[Au]([S](CC)[Au]1)[S](CC)[Au]169%18%24[Au]9%1683%15[S](CC)[Au][S](CC)[Au][S]([Au]%14%19%21%236[Au]3%121%16[S](CC)[Au][S](CC)[Au]%22[S](CC)[Au]4%102%137[Au]%11%20%1793[S](CC)[Au][S](CC)[Au][S]5CC)CC)CC)CC
• Title of publication: Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-ray Crystallography and Electron Nuclear Double Resonance.
• Authors of publication: Dainese, Tiziano; Antonello, Sabrina; Gascón, José A; Pan, Fangfang; Perera, Neranjan V.; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Rissanen, Kari; Maran, Flavio
• Journal of publication: ACS nano
• Year of publication: 2014
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3904 - 3912
• a: 13.7727 ± 0.0006 Å
• b: 13.8864 ± 0.0006 Å
• c: 14.1519 ± 0.0005 Å
• α: 104.383 ± 0.003°
• β: 101.406 ± 0.003°
• γ: 119.292 ± 0.004°
• Cell volume: 2116.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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: 0.0747
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No