Information card for entry 7115943

Structure parameters

• Common name: Green
• Formula: C72 H162 Au30 S19
• Calculated formula: C72 H162 Au30 S19
• SMILES: [Au]1234567[Au]89%10%11%12%13%14%15%16[Au]%17%18%19%20%21%22%23%24%25[Au]%26%27%2818[Au]18%292%17[Au]2%18([Au]%17%18%30%31%25[Au]%25%32%33%34%35%20[Au]%20%36%37%389[Au]9%395%11%191[Au]15%11%218[Au]8%19%23%33%36([Au]%21%23%24%181([Au]1%30%348([Au]%23([S]%31C(C)(C)C)[S]([Au]1[S]([Au]5%19%21[S]%11C(C)(C)C)C(C)(C)C)C(C)(C)C)[S]([Au]%35[S]([Au]15%13%32%20[Au]8%12%22%27%17%25[Au]%11%141([Au]1%12%133%10%26[Au]3%104([Au]47%159([Au]7%16%375[Au]51([Au]%123([S]%13C(C)(C)C)[S]([Au][S]([Au]5[S]7C(C)(C)C)C(C)(C)C)C(C)(C)C)([S]%104)[S]%11C(C)(C)C)[S]%39C(C)(C)C)[S]([Au]6[S]%29C(C)(C)C)C(C)(C)C)[S]8C(C)(C)C)C(C)(C)C)C(C)(C)C)[S]2C(C)(C)C)[S]%38C(C)(C)C)[S]%28C(C)(C)C
• Title of publication: High-yield synthesis and crystal structure of a green Au30 cluster co-capped by thiolate and sulfide
• Authors of publication: Huayan Yang; Yu Wang; Alison J. Edwards; Juanzhu Yan; Nanfeng Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14325
• a: 14.7299 ± 0.0004 Å
• b: 21.2699 ± 0.0005 Å
• c: 25.8105 ± 0.0005 Å
• α: 111.285 ± 0.002°
• β: 92.8643 ± 0.0017°
• γ: 93.898 ± 0.002°
• Cell volume: 7493.2 ± 0.3 ų
• Cell temperature: 99.97 ± 0.1 K
• Ambient diffraction temperature: 99.97 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No