Information card for entry 7038104

Structure parameters

• Formula: C29 H47 B Cl3 O P Ru S2
• Calculated formula: C29 H47 B Cl3 O P Ru S2
• SMILES: [Ru]12(Cl)([S]3CC[O]2CC[S]1[B]3(Cl)Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=Cc1ccccc1
• Title of publication: Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis
• Authors of publication: McKinty, Adam; Stephan, Douglas W.
• Journal of publication: Dalton Trans.
• Year of publication: 2016
• a: 17.7135 ± 0.0006 Å
• b: 10.08 ± 0.0003 Å
• c: 19.4358 ± 0.0007 Å
• α: 90°
• β: 109.048 ± 0.002°
• γ: 90°
• Cell volume: 3280.29 ± 0.19 ų
• Cell temperature: 149 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No