Information card for entry 4081421

Structure parameters

• Formula: C33 H36 Au F5 N2
• Calculated formula: C33 H36 Au F5 N2
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)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: 10.8899 ± 0.0016 Å
• b: 20.677 ± 0.003 Å
• c: 14.218 ± 0.002 Å
• α: 90°
• β: 99.47 ± 0.002°
• γ: 90°
• Cell volume: 3157.8 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No