Information card for entry 7127328

Structure parameters

• Formula: C74 H75 Au5 Cl2 P3 Ru2 S0
• Calculated formula: C74 H75 Au5 Cl2 P3 Ru2
• SMILES: [Au]123([Au]45([Au]67([Au]89([Au]%101([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ru]1%11%12%132468([c]2([c]%13(C)[c]%12(C)[c]%11(C)[c]12C)C)[Ru]12463579%10[c]3([c]1(C)[c]2(C)[c]4([c]63C)C)C)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ligand-protected Au₄Ru₂ and Au₅Ru₂ nanoclusters: distinct structures and implications for site-cooperation catalysis.
• Authors of publication: Sun, Yongnan; Yang, Dan; Zhang, Yuying; Hu, Weigang; Cheng, Xinglian; Liu, Xu; Chen, Mingyang; Zhu, Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12833 - 12836
• a: 13.98 ± 0.003 Å
• b: 16.129 ± 0.003 Å
• c: 17.64 ± 0.004 Å
• α: 112.192 ± 0.007°
• β: 90.973 ± 0.007°
• γ: 92.718 ± 0.006°
• Cell volume: 3676.1 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No