Information card for entry 8000197

Structure parameters

• Formula: C144 H162 Ag6.66 Au18.34 S18
• Calculated formula: C144 H162 Ag6.658 Au18.342 S18
• Title of publication: X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy
• Authors of publication: Kumara, Chanaka; Aikens, Christine M.; Dass, Amala
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 461
• a: 16.191 ± 0.007 Å
• b: 17.244 ± 0.007 Å
• c: 18.613 ± 0.007 Å
• α: 105.871 ± 0.012°
• β: 106.252 ± 0.013°
• γ: 90.74 ± 0.02°
• Cell volume: 4776 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 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: 0.072
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• 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: Yes
• Has Fobs: No