Information card for entry 1567724

Structure parameters

• Formula: C146 H104 Au8 O4 P6 S2
• Calculated formula: C146 H104 Au8 O4 P6 S2
• SMILES: [Au]12345[Au]67[Au]892[Au]21([Au]3([Au]142[Au]([S]9c2cccc(c2)C(=O)[O-])[P](c2ccc3c(c2c2c([P]1(c1ccccc1)c1ccccc1)ccc1c2cccc1)cccc3)(c1ccccc1)c1ccccc1)[P](c1ccc2ccccc2c1c1c2c(ccc1[P]5(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)[S]([Au]68[P](c1c(c2c([P]7(c3ccccc3)c3ccccc3)ccc3c2cccc3)c2c(cc1)cccc2)(c1ccccc1)c1ccccc1)c1cccc(c1)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: 20.333 ± 0.005 Å
• b: 25.812 ± 0.005 Å
• c: 26.048 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13671 ± 5 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: 0.0403
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No