Information card for entry 7106542

Structure parameters

• Formula: C37 H53 Cl2 N2 O3 P Ru
• Calculated formula: C37 H53 Cl2 N2 O3 P Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Cc1ccccc1)[P](OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis
• Authors of publication: Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7060
• a: 10.851 ± 0.003 Å
• b: 12.613 ± 0.003 Å
• c: 14.996 ± 0.003 Å
• α: 90.595 ± 0.002°
• β: 104.238 ± 0.004°
• γ: 106.35 ± 0.004°
• Cell volume: 1901.9 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No