Information card for entry 4128193

Structure parameters

• Formula: C191 H132 Au10 F12 O6 P8
• Calculated formula: C185 H132 Au10 F3 P8
• SMILES: [Au]1234567[Au]89%10[Au]%11%12%132[Au]2%1449[Au]%11([P](c4ccccc4)(c4ccc9c(c4c4c%11ccccc%11ccc4[P]%13(c4ccccc4)c4ccccc4)cccc9)c4ccccc4)[C]4#[C](c9ccc(cc9)C(F)(F)F)[Au]97%1224[Au]21([Au]5([Au]38[P](c1ccccc1)(c1c(c3c([P]%10(c4ccccc4)c4ccccc4)ccc4c3cccc4)c3c(cc1)cccc3)c1ccccc1)[P](c1ccc3c(c1c1c4c(ccc1[P]2(c1ccccc1)c1ccccc1)cccc4)cccc3)(c1ccccc1)c1ccccc1)[Au]69[P](c1ccccc1)(c1ccccc1)c1c(c2c([P]%14(c3ccccc3)c3ccccc3)ccc3c2cccc3)c2ccccc2cc1
• 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: 19.467 ± 0.0003 Å
• b: 19.467 ± 0.0003 Å
• c: 92.8172 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 30461.9 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No