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Information card for entry 4121776
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Coordinates | 4121776.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H51 Ir O2 P2 Si |
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Calculated formula | C30 H51 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 | 8.2456 ± 0.0006 Å |
b | 10.624 ± 0.0007 Å |
c | 19.2156 ± 0.001 Å |
α | 82.08 ± 0.005° |
β | 86.182 ± 0.005° |
γ | 79.073 ± 0.006° |
Cell volume | 1635.61 ± 0.19 Å3 |
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 | 0.0503 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121776.html
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