Information card for entry 1547873

Structure parameters

• Formula: C192 H216 Au37.01 Cu S24
• Calculated formula: C192 H216 Au37.004 Cu0.996 S24
• Title of publication: X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster
• Authors of publication: Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 39
• Pages of publication: 21665
• a: 19.4293 ± 0.0016 Å
• b: 19.4293 ± 0.0016 Å
• c: 129.434 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 42315 ± 6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No