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Information card for entry 1559195
Preview
| Coordinates | 1559195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H36 Cl Ir N O4 P |
|---|---|
| Calculated formula | C20 H36 Cl Ir N O4 P |
| SMILES | [IrH]123(Cl)[P](Oc4c(OC)ccc(c34)C[N]2(CCOC)CC[O]1C)(C(C)C)C(C)C |
| Title of publication | Decarbonylative Ether Dissection by Iridium Pincer Complexes |
| Authors of publication | Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 13.6475 ± 0.0005 Å |
| b | 8.789 ± 0.0003 Å |
| c | 19.5773 ± 0.0007 Å |
| α | 90° |
| β | 99.5079 ± 0.0012° |
| γ | 90° |
| Cell volume | 2316 ± 0.14 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for all reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1849 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256750 (current) | 2020-09-25 | cif/ Adding structures of 1559193, 1559194, 1559195, 1559196 via cif-deposit CGI script. |
1559195.cif |
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Users of the data should acknowledge the original authors of the
structural data.