Information card for entry 4111345

Structure parameters

• Formula: C54 H51 Cl2 N P2 Re
• Calculated formula: C54 H51 Cl2 N P2 Re
• Title of publication: Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond
• Authors of publication: Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5180 - 5187
• a: 15.368 ± 0.0003 Å
• b: 19.168 ± 0.0003 Å
• c: 15.9227 ± 0.0004 Å
• α: 90°
• β: 103.293 ± 0.0007°
• γ: 90°
• Cell volume: 4564.74 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No