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Information card for entry 4088802
Preview
| Coordinates | 4088802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H30 F12 Ir N3 O2 S2 |
|---|---|
| Calculated formula | C43 H30 F12 Ir N3 O2 S2 |
| Title of publication | Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States |
| Authors of publication | Maya, Rosa A.; Maity, Ayan; Teets, Thomas S. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 17 |
| Pages of publication | 2890 |
| a | 11.017 ± 0.005 Å |
| b | 30.182 ± 0.013 Å |
| c | 25.761 ± 0.011 Å |
| α | 90° |
| β | 100.721 ± 0.005° |
| γ | 90° |
| Cell volume | 8416 ± 6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237835 (current) | 2019-11-24 | cif/ Adding structures of 4088795, 4088796, 4088797, 4088798, 4088799, 4088800, 4088801, 4088802 via cif-deposit CGI script. |
4088802.cif |
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Users of the data should acknowledge the original authors of the
structural data.