Information card for entry 7041759

Structure parameters

• Common name: (AuAg)45
• Chemical name: Au9Ag36(SPhCl2)27(PPh3)6
• Formula: C270 H171 Ag36 Au9 Cl54 P6 S27
• Calculated formula: C270 H171 Ag36 Au9 Cl54 P6 S27
• Title of publication: Peculiar holes on checkerboard facets of a trigonal prismatic Au9Ag36(SPhCl2)27(PPh3)6 cluster caused by steric hindrance and magic electron count.
• Authors of publication: Huang, Lei; Yan, Juanzhu; Ren, Liting; Teo, Boon K.; Zheng, Nanfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1757 - 1760
• a: 22.2304 ± 0.0004 Å
• b: 22.6767 ± 0.0003 Å
• c: 39.9114 ± 0.0004 Å
• α: 87.3036 ± 0.001°
• β: 78.1556 ± 0.0012°
• γ: 62.7423 ± 0.0016°
• Cell volume: 17479.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No