Information card for entry 4123946

Structure parameters

• Common name: hj4008
• Formula: C57 H70 N2 O Ru Si
• Calculated formula: C57 H70 N2 O Ru Si
• SMILES: C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[RuH2]1234([c]5(C)[c]1(C)[c]2(C)[c]3([c]45C)C)[Si]1(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(c2ccccc2)(c2ccccc2)O1
• Title of publication: Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.
• Authors of publication: Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 28
• Pages of publication: 9186 - 9194
• a: 16.5087 ± 0.001 Å
• b: 22.9978 ± 0.0011 Å
• c: 17.8555 ± 0.0009 Å
• α: 90°
• β: 108.957 ± 0.003°
• γ: 90°
• Cell volume: 6411.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No