Information card for entry 4121840

Structure parameters

• Formula: C26 H39 Au Cl2 F4 I P
• Calculated formula: C26 H39 Au Cl2 F4 I P
• SMILES: c1(ccc(cc1)F)[Au](C(F)(F)F)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)I.C(Cl)Cl
• Title of publication: Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.
• Authors of publication: Winston, Matthew S.; Wolf, William J.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 21
• Pages of publication: 7777 - 7782
• a: 11.5448 ± 0.0004 Å
• b: 18.1771 ± 0.0006 Å
• c: 14.4575 ± 0.0005 Å
• α: 90°
• β: 92.93 ± 0.001°
• γ: 90°
• Cell volume: 3029.95 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No