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Information card for entry 4518875
Preview
| Coordinates | 4518875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 Ir N4 O2 |
|---|---|
| Calculated formula | C28 H27 Ir N4 O2 |
| Title of publication | Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand |
| Authors of publication | Alshakova, Iryna D.; Albrecht, Martin |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 8999 - 9007 |
| a | 9.3205 ± 0.0002 Å |
| b | 24.9862 ± 0.0002 Å |
| c | 15.3632 ± 0.0003 Å |
| α | 90° |
| β | 131.483 ± 0.004° |
| γ | 90° |
| Cell volume | 2680.35 ± 0.18 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267407 (current) | 2021-07-09 | cif/ Adding structures of 4518875 via cif-deposit CGI script. |
4518875.cif |
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Users of the data should acknowledge the original authors of the
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