Information card for entry 1567723

Structure parameters

• Formula: C148 H108 Au8 O10 P6 S2
• Calculated formula: C148 H108 Au8 O10 P6 S2
• SMILES: [Au]12[Au]34([Au]56[Au]783[Au]345([Au]47([Au]5([Au]34[P](c3ccccc3)(c3ccccc3)c3ccc4c(cccc4)c3c3c4c(ccc3[P]5(c3ccccc3)c3ccccc3)cccc4)[S]8c3c(C(=O)O)cccc3)[S]1c1c(cccc1)C(=O)O)[P](c1ccccc1)(c1ccccc1)c1c(c3c4c(cccc4)ccc3[P]6(c3ccccc3)c3ccccc3)c3c(cc1)cccc3)[P](c1ccccc1)(c1ccccc1)c1c(c3ccccc3cc1)c1c([P]2(c2ccccc2)c2ccccc2)ccc2c1cccc2.[O-]C(=O)O.O=C(O)[O-]
• Title of publication: Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state
• Authors of publication: Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 35
• Pages of publication: 10523 - 10531
• a: 18.4744 ± 0.0002 Å
• b: 27.7085 ± 0.0003 Å
• c: 31.2344 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15988.8 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No