Information card for entry 4130472

Structure parameters

• Formula: C177 H130 Au10 Cl4 P8 S4
• Calculated formula: C177 H130 Au10 Cl4 P8 S4
• SMILES: [Au]1234[Au]56([Au]78[Au]9%10%115([Au]5([Au]%129([Au]9%13([Au]%14%15[Au]%162%109([Au]1([P](c1c(c2c(ccc9ccccc29)[P]%14(c2ccccc2)c2ccccc2)c2ccccc2cc1)(c1ccccc1)c1ccccc1)[S]4%16)[S]%13%15)[P](c1c(c2c(ccc4ccccc24)[P]%12(c2ccccc2)c2ccccc2)c2ccccc2cc1)(c1ccccc1)c1ccccc1)[S]%115)[P](c1c(c2c(ccc4c2cccc4)[P]7(c2ccccc2)c2ccccc2)c2c(cc1)cccc2)(c1ccccc1)c1ccccc1)[S]68)[P](c1c(c2c(ccc4ccccc24)[P]3(c2ccccc2)c2ccccc2)c2ccccc2cc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[Cl-].[Cl-]
• Title of publication: Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.
• Authors of publication: Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 23
• Pages of publication: 7260 - 7263
• a: 16.694 ± 0.003 Å
• b: 21.993 ± 0.004 Å
• c: 24.942 ± 0.005 Å
• α: 90°
• β: 96.59 ± 0.03°
• γ: 90°
• Cell volume: 9097 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1004
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No