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Information card for entry 4518874
Preview
| Coordinates | 4518874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Br Cl Ir N4 |
|---|---|
| Calculated formula | C23 H23 Br Cl Ir N4 |
| 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 | 18.708 ± 0.0003 Å |
| b | 9.78149 ± 0.00014 Å |
| c | 24.7192 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4523.42 ± 0.12 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267406 (current) | 2021-07-09 | cif/ Adding structures of 4518874 via cif-deposit CGI script. |
4518874.cif |
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