Information card for entry 4064348

Structure parameters

• Common name: 6-KetoMesG3
• Formula: C36 H39 Cl2 N3 O2 Ru
• Calculated formula: C36 H39 Cl2 N3 O2 Ru
• SMILES: [Ru](Cl)(Cl)([n]1ccccc1)(=Cc1ccccc1)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes
• Authors of publication: Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2278
• a: 9.3797 ± 0.0016 Å
• b: 9.843 ± 0.0016 Å
• c: 19.455 ± 0.003 Å
• α: 77.608 ± 0.004°
• β: 84.921 ± 0.004°
• γ: 82.834 ± 0.005°
• Cell volume: 1737.1 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No