Information card for entry 4084566

Structure parameters

• Formula: C18 H16 Au F3 N2
• Calculated formula: C18 H16 Au F3 N2
• SMILES: [Au](C(F)(F)F)=C1N(C=CN1Cc1ccccc1)Cc1ccccc1
• 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: 9.5984 ± 0.0005 Å
• b: 11.2132 ± 0.0005 Å
• c: 15.6656 ± 0.0008 Å
• α: 90°
• β: 91.354 ± 0.002°
• γ: 90°
• Cell volume: 1685.6 ± 0.14 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: 0.0211
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No