Information card for entry 4071024

Structure parameters

• Formula: C41 H45 Cl4 N P2 Ru
• Calculated formula: C41 H45 Cl4 N P2 Ru
• SMILES: C1c2ccc3ccccc3[n]2[Ru]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P]1(C1CCCCC1)C1CCCCC1)(Cl)Cl.C(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: 13.014 ± 0.005 Å
• b: 16.287 ± 0.005 Å
• c: 18.698 ± 0.005 Å
• α: 90°
• β: 96.651 ± 0.005°
• γ: 90°
• Cell volume: 3937 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.2197
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No