Information card for entry 4122540

Structure parameters

• Common name: hj4032
• Formula: C44 H60 N2 Ru Si
• Calculated formula: C44 H60 N2 Ru Si
• SMILES: C[c]12[c]3([c]4(C)[c]5(C)[c]1(C)[RuH]12345(=C2N(c3c(C1)cccc3C)C=CN2c1c(C)cccc1C)[SiH2]c1c(C(C)C)cc(C(C)C)cc1C(C)C)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: 10.2942 ± 0.0006 Å
• b: 31.8285 ± 0.0017 Å
• c: 12.239 ± 0.0007 Å
• α: 90°
• β: 105.762 ± 0.002°
• γ: 90°
• Cell volume: 3859.3 ± 0.4 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: 0.0375
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No