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Information card for entry 1552253
Preview
| Coordinates | 1552253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H60 B F24 Ir N P2 |
|---|---|
| Calculated formula | C61 H60 B F24 Ir N P2 |
| Title of publication | Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes |
| Authors of publication | Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.4887 ± 0.0004 Å |
| b | 13.4887 ± 0.0004 Å |
| c | 34.6571 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6305.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for all reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217624 (current) | 2019-08-21 | cif/ Adding structures of 1552252, 1552253, 1552254 via cif-deposit CGI script. |
1552253.cif |
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Users of the data should acknowledge the original authors of the
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