Information card for entry 4067862

Structure parameters

• Formula: C20 H26 Cl4 N4 O Ru
• Calculated formula: C20 H26 Cl4 N4 O Ru
• SMILES: [Ru]12(Cl)(Cl)([O](C)CCN3C=CN(CCN4C=CN(C)C=24)C=13)=Cc1ccccc1.ClCCl
• Title of publication: Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis
• Authors of publication: Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 580
• a: 8.452 ± 0.005 Å
• b: 22.009 ± 0.005 Å
• c: 13.024 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.974 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2393.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No