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Information card for entry 4130445
Preview
| Coordinates | 4130445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H57 B2 Ir O6 P2 |
|---|---|
| Calculated formula | C31 H57 B2 Ir O6 P2 |
| 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 | 15.982 ± 0.005 Å |
| b | 16.075 ± 0.005 Å |
| c | 28.684 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7369 ± 4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
4130445.cif |
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Users of the data should acknowledge the original authors of the
structural data.