Information card for entry 7038106

Structure parameters

• Formula: C31 H50 B2 Cl6 N O P Ru S2
• Calculated formula: C31 H50 B2 Cl6 N O P Ru S2
• SMILES: [Ru]12([S]3CC[O]2CC[S]1[B]3(Cl)Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=Cc1ccccc1)[N]#CC.Cl[B](Cl)(Cl)[Cl-]
• 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: 10.5984 ± 0.0005 Å
• b: 13.8097 ± 0.0007 Å
• c: 27.2535 ± 0.0015 Å
• α: 90°
• β: 100.467 ± 0.003°
• γ: 90°
• Cell volume: 3922.5 ± 0.3 ų
• Cell temperature: 149 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No