Information card for entry 4077778

Structure parameters

• Formula: C82 H28 Au4 F40 Fe P2 S2
• Calculated formula: C82 H28 Au4 F40 Fe P2 S2
• SMILES: [S]([Au][P](c1ccccc1)([c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]7[cH]5[c]61[P]([Au][S]([Au](c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)[cH]3[cH]9[cH]28)c1ccccc1)([Au](c1c(F)c(c(F)c(F)c1F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis of [Au2(SC6F5)2(μ-dppf)] and [Au2(μ-SC6F5)(μ-dppf)] (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene). Reactivity toward Various Metallic Fragments
• Authors of publication: Crespo, Olga; Canales, Fernando; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3142
• a: 13.515 ± 0.001 Å
• b: 21.974 ± 0.002 Å
• c: 27.244 ± 0.003 Å
• α: 90°
• β: 94.716 ± 0.009°
• γ: 90°
• Cell volume: 8063.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.0567
• Goodness-of-fit parameter for all reflections: 0.872
• Goodness-of-fit parameter for significantly intense reflections: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No