Information card for entry 4126121

Structure parameters

• Formula: C60 H135 Ag Au20 S15
• Calculated formula: C60 H135 Ag Au20 S15
• SMILES: [Ag]1234567[Au]89%10%11%12%13%14%15%16[Au]%17%18%19%20%211[Au]1%22%23%24%25%26%278[Au]8%28%10%17[Au]%10%17%29%309[Au]4%18([S]([Au]49%16%17[Au]%16%17%182%11[Au]2%124([Au]4%158%10([Au]%14%23([Au]8%103%131%16[Au]13%22([Au]5%20%258([Au]5%261([Au]%19%24([S]5C(C)(C)C)[S]%28C(C)(C)C)[S]3C(C)(C)C)[S]([Au]16[Au]7%17([S]%18C(C)(C)C)[S]1C(C)(C)C)C(C)(C)C)[S]%10C(C)(C)C)([S]%27C(C)(C)C)[S]2C(C)(C)C)[Au]1([Au]%29([S]%30C(C)(C)C)[S]1C(C)(C)C)[S]4C(C)(C)C)[S]9C(C)(C)C)C(C)(C)C)[S]%21C(C)(C)C
• Title of publication: In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.
• Authors of publication: Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5668 - 5671
• a: 26.2225 ± 0.0007 Å
• b: 14.9508 ± 0.0005 Å
• c: 29.2628 ± 0.0008 Å
• α: 90°
• β: 99.579 ± 0.002°
• γ: 90°
• Cell volume: 11312.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No