Information card for entry 4064347

Structure parameters

• Common name: 6KetoMesHoveydaGrubbs2
• Formula: C34 H40 Cl2 N2 O3 Ru
• Calculated formula: C34 H40 Cl2 N2 O3 Ru
• SMILES: [Ru]1(Cl)([O](c2c(C=1)cccc2)C(C)C)(=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)Cl
• 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: 10.166 ± 0.002 Å
• b: 11.32 ± 0.002 Å
• c: 15.196 ± 0.003 Å
• α: 75.51 ± 0.03°
• β: 84.09 ± 0.03°
• γ: 87.83 ± 0.03°
• Cell volume: 1684 ± 0.6 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: 0.0952
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No