Information card for entry 1540380

Structure parameters

• Formula: C84 H153 Ag3 Au15 O2 S14
• Calculated formula: C84 H161 Ag3 Au15 O4 S14
• SMILES: [Ag]12345[Ag]6789[Ag]%10%11%12%131[Au]1%14%152[Au]2([Au]%167%10%14[Au]361([S]2C1CCCCC1)[S]([Au][S]([Au]12[Au]38%11([Au]6([Au]([Au]4%1223[S]([Au][S]%15C2CCCCC2)C2CCCCC2)([S]([Au]1[S]5C1CCCCC1)C1CCCCC1)[S]6C1CCCCC1)[S]([Au][S]9C1CCCCC1)C1CCCCC1)[S]([Au][S]%16C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au][S]%13C1CCCCC1)C1CCCCC1.O.O.O.O
• Title of publication: X-Ray crystal structure, and optical and electrochemical properties of the Au15Ag3(SC6H11)14 nanocluster with a core-shell structure.
• Authors of publication: Xiang, Ji; Li, Peng; Song, Yongbo; Liu, Xia; Chong, Hanbao; Jin, Shan; Pei, Yong; Yuan, Xiaoyou; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 43
• Pages of publication: 18278 - 18283
• a: 24.9951 ± 0.0016 Å
• b: 18.5586 ± 0.0012 Å
• c: 51.826 ± 0.005 Å
• α: 90°
• β: 90.478 ± 0.001°
• γ: 90°
• Cell volume: 24040 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1948
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No