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Information card for entry 4518501
Preview
| Coordinates | 4518501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H46 B F4 Ir O P2 |
|---|---|
| Calculated formula | C24 H46 B F4 Ir O P2 |
| Title of publication | Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors |
| Authors of publication | Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 3009 - 3016 |
| a | 17.1482 ± 0.0014 Å |
| b | 16.0706 ± 0.0013 Å |
| c | 21.2524 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5856.8 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262165 (current) | 2021-02-24 | cif/ Adding structures of 4518501 via cif-deposit CGI script. |
4518501.cif |
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