Information card for entry 4067341

Structure parameters

• Formula: C37 H52 Cl2 N2 O Ru
• Calculated formula: C37 H52 Cl2 N2 O Ru
• SMILES: C(N(C)c1c(cccc1C(C)C)C(C)C)(N(C)c1c(cccc1C(C)C)C(C)C)=[Ru]1(=Cc2c(cccc2)[O]1C(C)C)(Cl)Cl
• Title of publication: Olefin Metathesis Catalysts Containing Acyclic Diaminocarbenes
• Authors of publication: Rosen, Evelyn L.; Sung, Daphne H.; Chen, Zheng; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 250
• a: 10.0468 ± 0.0013 Å
• b: 20.897 ± 0.003 Å
• c: 17.06 ± 0.002 Å
• α: 90°
• β: 91.193 ± 0.005°
• γ: 90°
• Cell volume: 3580.9 ± 0.8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No