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Information card for entry 4087868
Preview
| Coordinates | 4087868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H66 B F26 Ir N6 O6 |
|---|---|
| Calculated formula | C71 H64 B F26 Ir N6 O6 |
| 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 | 18.212 ± 0.0003 Å |
| b | 19.9992 ± 0.0002 Å |
| c | 20.9223 ± 0.0003 Å |
| α | 99.7323 ± 0.0012° |
| β | 99.5664 ± 0.0014° |
| γ | 100.414 ± 0.0012° |
| Cell volume | 7233.28 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| 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. |
4087868.cif |
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Users of the data should acknowledge the original authors of the
structural data.