Information card for entry 1550197

Structure parameters

• Formula: C154 H154 Ag30 F24 N4 O28 S20
• Calculated formula: C154 H154 Ag30 F24 N4 O28 S20
• 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: 19.8067 ± 0.0002 Å
• b: 21.3657 ± 0.0002 Å
• c: 24.6098 ± 0.0003 Å
• α: 90°
• β: 94.909 ± 0.001°
• γ: 90°
• Cell volume: 10376.3 ± 0.19 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No