Information card for entry 4121777

Structure parameters

• Formula: C28 H55 Ir O2 P2 Si
• Calculated formula: C28 H55 Ir O2 P2 Si
• Title of publication: Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.
• Authors of publication: Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 19
• Pages of publication: 6912 - 6915
• a: 8.2047 ± 0.0004 Å
• b: 11.0592 ± 0.0005 Å
• c: 18.8425 ± 0.0009 Å
• α: 88.45 ± 0.004°
• β: 78.995 ± 0.004°
• γ: 68.363 ± 0.004°
• Cell volume: 1558.26 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No