Information card for entry 4071023

Structure parameters

• Formula: C37.75 H46.5 Cl3.5 N P2 Ru
• Calculated formula: C37 H45 Cl2 N P2 Ru
• SMILES: Cc1cccc2C[P](C3CCCCC3)(C3CCCCC3)[Ru]([n]12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation
• Authors of publication: Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1193
• a: 20.306 ± 0.003 Å
• b: 12.791 ± 0.002 Å
• c: 30.984 ± 0.004 Å
• α: 90°
• β: 90.238 ± 0.019°
• γ: 90°
• Cell volume: 8048 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No