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Information card for entry 7119141
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| Coordinates | 7119141.cif |
|---|
| Formula | C21 H29 F6 Ir N O P |
|---|---|
| Calculated formula | C21 H29 F6 Ir N O P |
| Title of publication | Metallocene to metallocene conversion. Synthesis of an oxazoline-substituted pentamethyliridocenium cation from a ferrocenyloxazoline |
| Authors of publication | Ross A. Arthurs; Peter N. Horton; Simon J. Coles; Christopher J. Richards |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 7024 |
| a | 7.0929 ± 0.0002 Å |
| b | 15.6774 ± 0.0004 Å |
| c | 20.8647 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2320.12 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185778 (current) | 2016-08-12 | cif/ Adding structures of 7119141 via cif-deposit CGI script. |
7119141.cif |
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