Information card for entry 4082885

Structure parameters

• Formula: C55 H55 Cl4 F6 Fe P3 Ru
• Calculated formula: C55 H55 Cl4 F6 Fe P3 Ru
• Title of publication: Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile
• Authors of publication: Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4792
• a: 11.9145 ± 0.0016 Å
• b: 12.3395 ± 0.0016 Å
• c: 20.032 ± 0.002 Å
• α: 95.058 ± 0.005°
• β: 104.188 ± 0.005°
• γ: 111.073 ± 0.005°
• Cell volume: 2613.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No