Information card for entry 4084572

Structure parameters

• Formula: C14 H20 Au F3 N2
• Calculated formula: C14 H20 Au F3 N2
• SMILES: [Au](C(F)(F)F)=C(N(CC)CC)Nc1c(cccc1C)C
• 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: 8.0767 ± 0.0005 Å
• b: 8.0999 ± 0.0005 Å
• c: 12.4141 ± 0.0007 Å
• α: 76.048 ± 0.002°
• β: 87.682 ± 0.002°
• γ: 78.212 ± 0.002°
• Cell volume: 771.52 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No