Information card for entry 4122536

Structure parameters

• Formula: C29 H34 N2 Ru
• Calculated formula: C29 H34 N2 Ru
• SMILES: C12N([C]34=[C]5(C[Ru]=2678945[c]2([c]6(C)[c]7([c]8(C)[c]92C)C)C)C=CC=C3C)C=CN1c1c(C)cccc1C
• Title of publication: Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.
• Authors of publication: Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 32
• Pages of publication: 11473 - 11482
• a: 9.3027 ± 0.0004 Å
• b: 19.5605 ± 0.0008 Å
• c: 13.5408 ± 0.0006 Å
• α: 90°
• β: 94.688 ± 0.002°
• γ: 90°
• Cell volume: 2455.71 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No