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Information card for entry 4120733
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Coordinates | 4120733.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 10d |
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Formula | C46 H49 Ir N3 Si |
Calculated formula | C46 H49 Ir N3 Si |
Title of publication | Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage |
Authors of publication | Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 13149 - 13161 |
a | 10.2398 ± 0.0005 Å |
b | 12.8417 ± 0.0006 Å |
c | 14.6811 ± 0.0009 Å |
α | 86.345 ± 0.006° |
β | 86.367 ± 0.007° |
γ | 81.453 ± 0.007° |
Cell volume | 1902.35 ± 0.18 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4120733.html
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