Information card for entry 4122537

Structure parameters

• Common name: hj4187
• Formula: C45 H60 Ag F3 N2 O3 Ru S Si
• Calculated formula: C45 H60 Ag F3 N2 O3 Ru S Si
• SMILES: C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]123456([c]7(C)[c]1(C)[c]2(C)[c]3([c]47C)C)[Ag](OS(=O)(=O)C(F)(F)F)[SiH]5(c1c(C(C)C)cc(C(C)C)cc1C(C)C)[H]6
• 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: 11.324 ± 0.005 Å
• b: 30.125 ± 0.005 Å
• c: 13.405 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.564 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4405 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No