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Information card for entry 4087997
Preview
| Coordinates | 4087997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 B Cl2 Ir |
|---|---|
| Calculated formula | C26 H36 B Cl2 Ir |
| SMILES | [Ir]12345(Cl)([H][B](Cl)([H]5)c5c(c(cc(c5C)C)C)C)[c]5([c]1([c]2([c]4([c]35C)C)C)C)C.c1ccccc1 |
| 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 | 9.829 ± 0.002 Å |
| b | 15.79 ± 0.003 Å |
| c | 17.032 ± 0.004 Å |
| α | 90° |
| β | 104.52 ± 0.005° |
| γ | 90° |
| Cell volume | 2558.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0236 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237186 (current) | 2019-11-24 | cif/ Adding structures of 4087997 via cif-deposit CGI script. |
4087997.cif |
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Users of the data should acknowledge the original authors of the
structural data.