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Information card for entry 1552252
Preview
| Coordinates | 1552252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H65 B F24 Ir N P2 |
|---|---|
| Calculated formula | C63 H65 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 | 13.4206 ± 0.0009 Å |
| b | 13.4206 ± 0.0009 Å |
| c | 35.17 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6334.6 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections | 0.1381 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9586 |
| Diffraction radiation wavelength | 1.54178 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. |
1552252.cif |
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