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Information card for entry 4518876
Preview
| Coordinates | 4518876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H60 F9 Ir2 N10 O12 S3 |
|---|---|
| Calculated formula | C55 H60 F9 Ir2 N10 O12 S3 |
| 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 | 11.74509 ± 0.00017 Å |
| b | 12.84178 ± 0.00011 Å |
| c | 22.3981 ± 0.0003 Å |
| α | 83.3036 ± 0.0011° |
| β | 84.813 ± 0.0012° |
| γ | 72.8119 ± 0.0011° |
| Cell volume | 3199.79 ± 0.07 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
|---|---|---|---|
| 267408 (current) | 2021-07-09 | cif/ Adding structures of 4518876 via cif-deposit CGI script. |
4518876.cif |
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