Information card for entry 1567722

Structure parameters

• Formula: C146 H104 Au8 O4 P6 S2
• Calculated formula: C146 H104 Au8 O4 P6 S2
• SMILES: [Au]1234[Au]5678[Au]9%10([Au]%115[Au]%10([S]([Au]279[Au]16[P](c1ccccc1)(c1c(c2c5c(ccc2[P]8(c2ccccc2)c2ccccc2)cccc5)c2c(cc1)cccc2)c1ccccc1)c1ccccc1C(=O)[O-])[P](c1ccccc1)(c1ccccc1)c1ccc2c(c1c1c([P]%11(c5ccccc5)c5ccccc5)ccc5ccccc15)cccc2)[S]([Au]3[P](c1c(c2ccccc2cc1)c1c([P]4(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1)c1c(C(=O)[O-])cccc1
• 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: 20.5564 ± 0.0014 Å
• b: 25.7288 ± 0.0016 Å
• c: 26.0976 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13802.8 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0479
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No