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Information card for entry 4088002
Preview
| Coordinates | 4088002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H51 Cl3 Ir N2 P |
|---|---|
| Calculated formula | C33.5 H50 Cl3 Ir N2 P |
| Title of publication | Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand |
| Authors of publication | Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 22 |
| Pages of publication | 5454 |
| a | 16.6119 ± 0.0007 Å |
| b | 14.9729 ± 0.0006 Å |
| c | 27.5702 ± 0.0012 Å |
| α | 90° |
| β | 95.786 ± 0.002° |
| γ | 90° |
| Cell volume | 6822.6 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237192 (current) | 2019-11-24 | cif/ Adding structures of 4088002, 4088003, 4088004, 4088005 via cif-deposit CGI script. |
4088002.cif |
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Users of the data should acknowledge the original authors of the
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