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Information card for entry 4087994
Preview
| Coordinates | 4087994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H56 B Ir O2 P2 |
|---|---|
| Calculated formula | C32 H56 B Ir O2 P2 |
| SMILES | [IrH]123(c4c(O[P]1(C(C)(C)C)C(C)(C)C)cccc4O[P]2(C(C)(C)C)C(C)(C)C)[H][BH]([H]3)c1c(c(cc(c1C)C)C)C |
| Title of publication | Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes |
| Authors of publication | Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 24 |
| Pages of publication | 5709 |
| a | 8.4018 ± 0.0009 Å |
| b | 12.8783 ± 0.0014 Å |
| c | 16.9736 ± 0.0019 Å |
| α | 73.067 ± 0.001° |
| β | 80.836 ± 0.002° |
| γ | 77.115 ± 0.002° |
| Cell volume | 1703.9 ± 0.3 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237181 (current) | 2019-11-24 | cif/ Adding structures of 4087994 via cif-deposit CGI script. |
4087994.cif |
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Users of the data should acknowledge the original authors of the
structural data.