Information card for entry 4122147

Structure parameters

• Common name: (tpy)Au(CH2CH2OCH2CF3)(OCOCF3)
• Chemical name: [2-(4-tolyl)pyridine](2-trifluoroethoxyethyl)(trifluoroacetato)gold(III)
• Formula: C18 H16 Au Cl0 F6 N O3
• Calculated formula: C18 H16 Au F6 N O3
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(c2)C)(OC(=O)C(F)(F)F)CCOCC(F)(F)F
• Title of publication: A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.
• Authors of publication: Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 28
• Pages of publication: 10104 - 10115
• a: 26.5569 ± 0.0012 Å
• b: 4.8312 ± 0.0002 Å
• c: 30.7819 ± 0.0013 Å
• α: 90°
• β: 105.409 ± 0.001°
• γ: 90°
• Cell volume: 3807.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No