Information card for entry 4083416

Structure parameters

• Formula: C31 H35 Cl2 N3 O4 Ru
• Calculated formula: C31 H35 Cl2 N3 O4 Ru
• SMILES: [Ru]1(Cl)(Cl)(=C2N(CCN2c2c(C)cc(cc2C)C)c2c(C)cc(cc2C)C)[O]=C(OCC)c2c(C=1)ccc(c2)N(=O)=O
• 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: 23.7001 ± 0.0011 Å
• b: 16.9338 ± 0.0007 Å
• c: 7.9974 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3209.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No