Information card for entry 4071021

Structure parameters

• Formula: C38 H35 Cl4 N P2 Ru
• Calculated formula: C38 H35 Cl4 N P2 Ru
• SMILES: Cc1cccc2C[P](c3ccccc3)(c3ccccc3)[Ru]([n]12)([P](c1ccccc1)(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: 10.53 ± 0.005 Å
• b: 13.425 ± 0.005 Å
• c: 25.056 ± 0.005 Å
• α: 90°
• β: 95.832 ± 0.005°
• γ: 90°
• Cell volume: 3524 ± 2 ų
• Cell 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: 0.0428
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No