Information card for entry 4131829

Structure parameters

• Formula: C112 H176 Au21.34 Cu1.66 N S16
• Calculated formula: C112 H176 Au21.341 Cu1.659 N S16
• Title of publication: Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.
• Authors of publication: Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 49
• Pages of publication: 17779 - 17782
• a: 33.0713 ± 0.0012 Å
• b: 63.499 ± 0.003 Å
• c: 32.3807 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 67999 ± 5 ų
• Cell temperature: 230.01 K
• Ambient diffraction temperature: 230.01 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No