Information card for entry 4067342

Structure parameters

• Formula: C54 H72 Cl2 N4 Ru
• Calculated formula: C49 H60 Cl2 N4 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Cc1ccccc1)(N(C)c1c(cc(cc1C)C)C)N(C)c1c(cc(cc1C)C)C
• 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: 32.304 ± 0.004 Å
• b: 19.894 ± 0.002 Å
• c: 15.1162 ± 0.0017 Å
• α: 90°
• β: 110.185 ± 0.003°
• γ: 90°
• Cell volume: 9117.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No