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Information card for entry 4086528
Preview
| Coordinates | 4086528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H51.33 F2 Ir P2 |
|---|---|
| Calculated formula | C36.9933 H51.31 F2 Ir P2 |
| Title of publication | Single and Double C‒H Activation of Biphenyl or Phenanthrene. An Example of C‒H Addition to Ir(III) More Facile than Addition to Ir(I) |
| Authors of publication | Laviska, David A.; Zhou, Tian; Kumar, Akshai; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1613 |
| a | 40.4356 ± 0.0018 Å |
| b | 40.4356 ± 0.0018 Å |
| c | 10.8664 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 15386.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183471 (current) | 2016-06-15 | cif/ Adding structures of 4086526, 4086527, 4086528 via cif-deposit CGI script. |
4086528.cif |
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Users of the data should acknowledge the original authors of the
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