Information card for entry 4084567

Structure parameters

• Formula: C12 H12 Au F3 N2
• Calculated formula: C12 H12 Au F3 N2
• SMILES: [Au](C(F)(F)F)=C1N(C=CN1C)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: 9.0505 ± 0.0004 Å
• b: 17.6326 ± 0.0007 Å
• c: 8.5529 ± 0.0003 Å
• α: 90°
• β: 109.483 ± 0.001°
• γ: 90°
• Cell volume: 1286.75 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No