Information card for entry 4066254

Structure parameters

• Formula: C76 H132 Cl9 O2 P3 Ru2 Sn2
• Calculated formula: C76 H132 Cl9 O2 P3 Ru2 Sn2
• SMILES: [Ru]12([Sn](Cl)(Cl)Cl)(=Cc3ccccc3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[Cl][Ru]([Cl]1)([Cl]2)([Sn](Cl)(Cl)Cl)(=Cc1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[PH+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.CCOCC.CCOCC
• Title of publication: Alkylidene-Ruthenium-Tin Catalysts for the Formation of Fatty Nitriles and Esters via Cross-Metathesis of Plant Oil Derivatives†
• Authors of publication: Miao, Xiaowei; Blokhin, Anton; Pasynskii, Alexandr; Nefedov, Sergey; Osipov, Sergey N.; Roisnel, Thierry; Bruneau, Christian; Dixneuf, Pierre H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5257
• a: 13.8127 ± 0.0009 Å
• b: 16.6947 ± 0.0009 Å
• c: 21.1828 ± 0.0014 Å
• α: 87.934 ± 0.004°
• β: 81.224 ± 0.004°
• γ: 66.866 ± 0.003°
• Cell volume: 4437.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.144
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No