Information card for entry 4122538

Structure parameters

• Formula: C43 H49 N2 Ru Si
• Calculated formula: C43 H49 N2 Ru Si
• SMILES: C12N(c3c(C[Ru]=24567([c]2([c]7([c]6([c]5([c]42C)C)C)C)C)[SiH2]c2ccc(C)cc2)cccc3C)C=CN1c1c(C)cccc1C.c1(ccccc1)C
• 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: 21.079 ± 0.008 Å
• b: 8.837 ± 0.003 Å
• c: 20.204 ± 0.008 Å
• α: 90°
• β: 94.557 ± 0.006°
• γ: 90°
• Cell volume: 3752 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2334
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No