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Information card for entry 4130446
Preview
| Coordinates | 4130446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H108 Cl2 Ir2 O4 P4 |
|---|---|
| Calculated formula | C57 H106 Cl2 Ir2 O4 P4 |
| Title of publication | High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium. |
| Authors of publication | Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 30 |
| Pages of publication | 9487 - 9497 |
| a | 8.512 ± 0.0019 Å |
| b | 20.125 ± 0.004 Å |
| c | 18.462 ± 0.004 Å |
| α | 90° |
| β | 98.697 ± 0.003° |
| γ | 90° |
| Cell volume | 3126.3 ± 1.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240878 (current) | 2019-11-25 | cif/ Adding structures of 4130445, 4130446, 4130447 via cif-deposit CGI script. |
4130446.cif |
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Users of the data should acknowledge the original authors of the
structural data.