Information card for entry 4128346

Structure parameters

• Formula: C72 H162 Au24 Hg S18
• Calculated formula: C72 H162 Au24.0004 Hg0.9996 S18
• Title of publication: Metal Doping of Au₂₅(SR)₁₈^- Clusters: Insights and Hindsights.
• Authors of publication: Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 16033 - 16045
• a: 16.2584 ± 0.0002 Å
• b: 17.3297 ± 0.0003 Å
• c: 25.0056 ± 0.0004 Å
• α: 107.614 ± 0.001°
• β: 91.395 ± 0.001°
• γ: 117.174 ± 0.001°
• Cell volume: 5863.12 ± 0.17 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0437
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No