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Information card for entry 4347726
Preview
| Coordinates | 4347726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 F6 Ir N4 P |
|---|---|
| Calculated formula | C26 H22 F6 Ir N4 P |
| SMILES | [Ir]12([N]#CC)(c3ccccc3c3[n]1cccc3)([N]#CC)[n]1ccccc1c1c2cccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes. |
| Authors of publication | Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 6018 - 6026 |
| a | 8.92212 ± 0.00013 Å |
| b | 8.92212 ± 0.00013 Å |
| c | 32.0341 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2550.05 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232470 (current) | 2019-11-23 | cif/ Adding structures of 4347726 via cif-deposit CGI script. |
4347726.cif |
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