Information card for entry 4326615

Structure parameters

• Formula: C44 H39 Au2 F6 P2 S Sb
• Calculated formula: C44 H39 Au2 F6 P2 S Sb
• SMILES: c1c([P]([Au][S](CCc2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters
• Authors of publication: Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10735 - 10739
• a: 39.003 ± 0.003 Å
• b: 12.2979 ± 0.0008 Å
• c: 23.898 ± 0.002 Å
• α: 90°
• β: 124.642 ± 0.008°
• γ: 90°
• Cell volume: 9430.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No