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Information card for entry 4087671
Preview
| Coordinates | 4087671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | p-NMe2tbu(POCOP)IrHCl |
|---|---|
| Formula | C24 H45 Cl Ir N O2 P2 |
| Calculated formula | C24 H45 Cl Ir N O2 P2 |
| SMILES | [IrH]12(Cl)[P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)cc(N(C)C)c3)(C(C)(C)C)C(C)(C)C |
| Title of publication | Iridium Pincer Catalysts for Silane Dehydrocoupling: Ligand Effects on Selectivity and Activity |
| Authors of publication | Mucha, Neil T.; Waterman, Rory |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 15 |
| Pages of publication | 3865 |
| a | 34.451 ± 0.003 Å |
| b | 11.035 ± 0.0009 Å |
| c | 14.4669 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5499.8 ± 0.8 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0372 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236913 (current) | 2019-11-24 | cif/ Adding structures of 4087671 via cif-deposit CGI script. |
4087671.cif |
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