Information card for entry 7032881

Structure parameters

• Formula: C22 H23 F6 P Ru
• Calculated formula: C22 H23 F6 P Ru
• Title of publication: [(η(5)-C5Me5)Ru](+) fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration.
• Authors of publication: Rioja, Matias; Hamon, Paul; Roisnel, Thierry; Sinbandhit, Sourisak; Fuentealba, Mauricio; Letelier, Karina; Saillard, Jean-Yves; Vega, Andrés; Hamon, Jean-René
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 316 - 329
• a: 8.646 ± 0.0013 Å
• b: 8.669 ± 0.0011 Å
• c: 27.921 ± 0.003 Å
• α: 90°
• β: 97.352 ± 0.009°
• γ: 90°
• Cell volume: 2075.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No