Information card for entry 4084570

Structure parameters

• Formula: C28 H24 Au2 F6 P2
• Calculated formula: C28 H24 Au2 F6 P2
• SMILES: [Au]([P](CC[P]([Au]C(F)(F)F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
• Title of publication: Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes
• Authors of publication: Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6358
• a: 13.2798 ± 0.0006 Å
• b: 11.3874 ± 0.0005 Å
• c: 19.1313 ± 0.0008 Å
• α: 90°
• β: 108.255 ± 0.001°
• γ: 90°
• Cell volume: 2747.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No