Information card for entry 4130258

Structure parameters

• Formula: C32 H58 Cl10 N6 Ru3
• Calculated formula: C32 H58 Cl10 N6 Ru3
• Title of publication: Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.
• Authors of publication: Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3596 - 3606
• a: 21.221 ± 0.007 Å
• b: 13.81 ± 0.004 Å
• c: 9.163 ± 0.003 Å
• α: 90°
• β: 103.056 ± 0.007°
• γ: 90°
• Cell volume: 2615.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No