Information card for entry 4111344

Structure parameters

• Formula: C36 H31 Cl2 O P2 Re
• Calculated formula: C36 H31 Cl2 O P2 Re
• SMILES: [ReH](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=O
• 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: 18.0285 ± 0.0003 Å
• b: 16.6735 ± 0.0003 Å
• c: 21.7549 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6539.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No