Information card for entry 1550199

Structure parameters

• Formula: C162 H168 Ag33 Au F27 N6 O24 S20
• Calculated formula: C162 H168 Ag33 Au F27 N6 O24 S19.9998
• Title of publication: New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure
• Authors of publication: Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan
• Journal of publication: Nanoscale
• Year of publication: 2018
• a: 30.3706 ± 0.0005 Å
• b: 30.3706 ± 0.0005 Å
• c: 39.4126 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31482.7 ± 1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No