Information card for entry 4349887

Structure parameters

• Formula: C108 H78 Au2 F12 P4 Pd6 S10
• Calculated formula: C108 H78 Au2 F12 P4 Pd6 S10
• SMILES: c1(ccccc1)[P](c1ccccc1)([Pd]123[S](c4ccc(c(F)c4)F)[Pd]42([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]2[Pd]534([S]1c1cc(F)c(cc1)F)[S]([Au]13[S]5[Au]42[S](c2cc(F)c(F)cc2)[Pd]256([S](c7cc(F)c(F)cc7)[Pd]76([P](c6ccccc6)(c6ccccc6)c6ccccc6)[S](c6ccc(F)c(F)c6)[Pd]57([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]12)[S]34)c1cc(F)c(cc1)F)c1ccccc1
• Title of publication: Design of atomically precise Au2Pd6 nanoclusters for boosting electrocatalytic hydrogen evolution on MoS2
• Authors of publication: Du, Yuanxin; Xiang, Ji; Ni, Kun; Yun, Yapei; Sun, Guodong; Yuan, Xiaoyou; Sheng, Hongting; Zhu, Yanwu; Zhu, Manzhou
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 2948
• a: 13.5057 ± 0.0013 Å
• b: 14.3267 ± 0.0014 Å
• c: 15.4396 ± 0.0015 Å
• α: 114.74 ± 0.001°
• β: 99.624 ± 0.001°
• γ: 103.165 ± 0.002°
• Cell volume: 2522.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No