Information card for entry 4121674

Structure parameters

• Formula: C70 H72 B P3 Ru Si
• Calculated formula: C70 H72 B P3 Ru Si
• SMILES: c1c(cccc1)C.[Ru]1234([H][Si]([H]1)(c1c(C4)cc(C)cc1C)c1c(C)cc(cc1C)C)[P](c1ccccc1)(C[B](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.
• Authors of publication: Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 16
• Pages of publication: 6092 - 6102
• a: 12.1371 ± 0.0006 Å
• b: 14.68 ± 0.0006 Å
• c: 18.6112 ± 0.0009 Å
• α: 70.662 ± 0.002°
• β: 76.209 ± 0.002°
• γ: 68.311 ± 0.002°
• Cell volume: 2881.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No