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Information card for entry 1559196
Preview
| Coordinates | 1559196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H52 Cl Ir N O7 P |
|---|---|
| Calculated formula | C32 H52 Cl Ir N O7 P |
| SMILES | [IrH]123(Cl)[P](Oc4c(ccc(c24)C[N]21CC[O]3CCOCCOCCOCCOCC2)OC)(C(C)C)C(C)C.c1ccccc1 |
| 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 | 21.5143 ± 0.0008 Å |
| b | 11.8302 ± 0.0004 Å |
| c | 26.8208 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6826.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0243 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
| 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. |
1559196.cif |
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