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Information card for entry 4087869
Preview
| Coordinates | 4087869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H52 B F24 Ir N4 O4 |
|---|---|
| Calculated formula | C58 H52 B F24 Ir N4 O4 |
| Title of publication | Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene |
| Authors of publication | Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4419 |
| a | 17.9906 ± 0.0002 Å |
| b | 18.4566 ± 0.0003 Å |
| c | 19.5861 ± 0.0002 Å |
| α | 90° |
| β | 112.362 ± 0.0014° |
| γ | 90° |
| Cell volume | 6014.39 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237066 (current) | 2019-11-24 | cif/ Adding structures of 4087866, 4087867, 4087868, 4087869, 4087870, 4087871 via cif-deposit CGI script. |
4087869.cif |
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Users of the data should acknowledge the original authors of the
structural data.