Information card for entry 4120125

Structure parameters

• Formula: C66 H60 B N P3 Ru Si
• Calculated formula: C66 H60 B N P3 Ru Si
• SMILES: [Ru]12([P](C[B](c3ccccc3)(C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Si](c1ccccc1)c1ccccc1)C#[N]c1c(C)cccc1C
• Title of publication: Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand
• Authors of publication: Mark C. Lipke; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10298 - 10301
• a: 12.1477 ± 0.0015 Å
• b: 13.1112 ± 0.0015 Å
• c: 20.504 ± 0.002 Å
• α: 81.192 ± 0.006°
• β: 81.26 ± 0.007°
• γ: 62.614 ± 0.006°
• Cell volume: 2853.1 ± 0.6 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: 0.2493
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No