Information card for entry 4128195

Structure parameters

• Formula: C182 H128 Au9 F9 O6 P8
• Calculated formula: C176 H128 Au9 P8
• SMILES: [Au]1234567[Au]89%10[Au]%11%12%133[Au]3%141([Au]2%11([Au]163[Au]4([Au]79[P](c2c(c3c(cc2)cccc3)c2c3c(cccc3)ccc2[P]%10(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccc3c(c2c2c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc21)cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1c1c([P]%13(c2ccccc2)c2ccccc2)ccc2ccccc12)[Au]58%12[P](c1c(c2c3c(ccc2[P]%14(c2ccccc2)c2ccccc2)cccc3)c2ccccc2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.
• Authors of publication: Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2384 - 2390
• a: 17.3706 ± 0.0002 Å
• b: 35.3798 ± 0.0004 Å
• c: 30.3366 ± 0.0004 Å
• α: 90°
• β: 98.232 ± 0.001°
• γ: 90°
• Cell volume: 18451.8 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No