Information card for entry 1516035

Structure parameters

• Common name: Au24(SR)20
• Formula: C220 H300 Au24 S20
• Calculated formula: C220 H300 Au24 S20
• SMILES: [Au]1234[Au]5678[Au]9%10%11%12[Au]%13%14%15[Au]%16%17%189[Au]937([Au]316[Au]([S]([Au][S]([Au]5([Au]([S]4Cc1ccc(cc1)C(C)(C)C)[S]([Au][S]([Au][S]([Au][S]3Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(cc1)C(C)(C)C)[S]%12Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)[S]([Au]29[S]%18Cc1ccc(C(C)(C)C)cc1)Cc1ccc(cc1)C(C)(C)C)[S]([Au]1%16[Au]([S]%15Cc2ccc(cc2)C(C)(C)C)[S]([Au][S]([Au][S]([Au][S]([Au]%11%14%17[Au]([S]([Au][S]1Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)[S]([Au]%10%13[S]8Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
• Title of publication: Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster.
• Authors of publication: Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao
• Journal of publication: Nanoscale
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 6458 - 6462
• a: 15.9929 ± 0.0008 Å
• b: 21.5942 ± 0.0012 Å
• c: 21.8042 ± 0.0011 Å
• α: 66.888 ± 0.003°
• β: 74.051 ± 0.003°
• γ: 73.462 ± 0.003°
• Cell volume: 6524.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0916
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No