Information card for entry 4123947

Structure parameters

• Common name: hj6112
• Formula: C51 H67 N3 O2 Ru S Si
• Calculated formula: C51 H67 N3 O2 Ru S Si
• SMILES: C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]12345([c]6(C)[c]1([c]2(C)[c]3(C)[c]46C)C)[H][Si](N=S([O-])(=O)c1ccc(C)cc1)(c1c(C(C)C)cc(C(C)C)cc1C(C)C)[H]5
• 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: 15.5731 ± 0.0012 Å
• b: 15.6694 ± 0.0013 Å
• c: 21.6607 ± 0.0016 Å
• α: 90°
• β: 96.084 ± 0.004°
• γ: 90°
• Cell volume: 5255.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No