Information card for entry 4083415

Structure parameters

• Formula: C31 H35 Cl2 N3 O4 Ru
• Calculated formula: C31 H35 Cl2 N3 O4 Ru
• SMILES: [Ru]1([O]=C(OCC)c2c(C=1)cc(N(=O)=O)cc2)(Cl)(Cl)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(C)cc(C)cc1C
• Title of publication: Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity
• Authors of publication: Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2806
• a: 8.1955 ± 0.0003 Å
• b: 11.4563 ± 0.0004 Å
• c: 17.342 ± 0.0008 Å
• α: 101.894 ± 0.002°
• β: 100.549 ± 0.002°
• γ: 105.261 ± 0.002°
• Cell volume: 1487.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No