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Information card for entry 7122754
Preview
| Coordinates | 7122754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H46 Cl Ir N4 Si |
|---|---|
| Calculated formula | C26 H46 Cl Ir N4 Si |
| Title of publication | Silyl‒pyridine‒amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C‒D bond activation of benzene-d6 |
| Authors of publication | Komuro, Takashi; Osawa, Tomohiro; Suzuki, Ryuju; Mochizuki, Daiki; Higashi, Hironori; Tobita, Hiromi |
| Journal of publication | Chemical Communications |
| Year of publication | 2018 |
| a | 12.3393 ± 0.0012 Å |
| b | 12.1936 ± 0.0005 Å |
| c | 19.8566 ± 0.0007 Å |
| α | 90° |
| β | 107.313 ± 0.0011° |
| γ | 90° |
| Cell volume | 2852.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212694 (current) | 2018-12-21 | cif/ Adding structures of 7122753, 7122754, 7122755 via cif-deposit CGI script. |
7122754.cif |
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Users of the data should acknowledge the original authors of the
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