Information card for entry 4121672

Structure parameters

• Formula: C72 H73 B N P3 Ru Si
• Calculated formula: C72 H73 B N P3 Ru Si
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)C[B](c4ccccc4)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)([Si](c1c(cc(cc1C)C)C)(c1c(cc(C)cc1C)C)[H]3)C#[N]c1c(C)cccc1C
• 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: 14.8682 ± 0.001 Å
• b: 15.3817 ± 0.0009 Å
• c: 16.0142 ± 0.0011 Å
• α: 87.716 ± 0.002°
• β: 89.078 ± 0.002°
• γ: 61.844 ± 0.002°
• Cell volume: 3226.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No