Information card for entry 7032883

Structure parameters

• Formula: C26 H25 F6 P Ru
• Calculated formula: C26 H25 F6 P Ru
• SMILES: [Ru]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)[c]12[cH]5[cH]6[cH]7[c]38cccc([c]913)c1ccccc21.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.494 ± 0.0004 Å
• b: 11.0658 ± 0.0006 Å
• c: 12.69 ± 0.0007 Å
• α: 84.451 ± 0.003°
• β: 88.341 ± 0.003°
• γ: 78.305 ± 0.003°
• Cell volume: 1162.48 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No