Information card for entry 4106969

Structure parameters

• Formula: C59 H60 B P3 Ru Si
• Calculated formula: C59 H60 B P3 Ru Si
• SMILES: [RuH]123([P](c4ccccc4)(c4ccccc4)C[B](c4ccccc4)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)[H][Si](c1ccccc1)(C)[H]3.Cc1ccccc1
• Title of publication: High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions
• Authors of publication: Mark C. Lipke; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16374 - 16377
• a: 18.066 ± 0.013 Å
• b: 13.115 ± 0.009 Å
• c: 21.94 ± 0.016 Å
• α: 90°
• β: 106.26 ± 0.01°
• γ: 90°
• Cell volume: 4990 ± 6 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 6
• 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: 0.0947
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No