Information card for entry 4077779

Structure parameters

• Formula: C42.5 H32 Au2 Cl6 F5 Fe O4 P2 S
• Calculated formula: C42 H31 Au2 Cl6 F5 Fe O4 P2 S
• SMILES: [Au]1[S](c2c(c(c(c(c2F)F)F)F)F)[Au][P]([c]23[Fe]456789%10([c]%11([cH]7[cH]6[cH]5[cH]4%11)[P]1(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].[Cl-].C(Cl)Cl.C(Cl)Cl
• 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: 14.953 ± 0.005 Å
• b: 30.587 ± 0.008 Å
• c: 21.606 ± 0.005 Å
• α: 90°
• β: 107.01 ± 0.02°
• γ: 90°
• Cell volume: 9450 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No