Information card for entry 4081422

Structure parameters

• Formula: C33 H36 Au Cl2 F5 N2
• Calculated formula: C33 H36 Au Cl2 F5 N2
• SMILES: [Au](Cl)(=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)(Cl)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Thermal versus Photochemical Reductive Elimination of Aryl Chlorides from NHC‒Gold Complexes
• Authors of publication: Ghidiu, Michael J.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5026
• a: 31.02 ± 0.02 Å
• b: 15.281 ± 0.01 Å
• c: 16.849 ± 0.011 Å
• α: 90°
• β: 91.92 ± 0.013°
• γ: 90°
• Cell volume: 7982 ± 9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1034
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1565
• 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