Information card for entry 4130259

Structure parameters

• Formula: C30 H54 B2 F8 N6 Ru
• Calculated formula: C30 H54 B2 F8 N6 Ru
• 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: 10.8977 ± 0.0003 Å
• b: 34.0657 ± 0.0011 Å
• c: 11.0451 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4100.4 ± 0.2 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No