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Information card for entry 7704880
Preview
| Coordinates | 7704880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 F6 Ir N6 O2 P |
|---|---|
| Calculated formula | C34 H32 F6 Ir N6 O2 P |
| SMILES | [Ir]1234(Oc5c(C=[N]2N(c2[n]1cccc2)C)cc(OC)cc5)[n]1ccccc1c1c4c(c(cc1C)C)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC |
| Title of publication | Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence. |
| Authors of publication | Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 30 |
| Pages of publication | 10463 - 10476 |
| a | 11.4532 ± 0.0005 Å |
| b | 15.8034 ± 0.0007 Å |
| c | 18.1543 ± 0.0008 Å |
| α | 90° |
| β | 95.0909 ± 0.0016° |
| γ | 90° |
| Cell volume | 3273 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0348 |
| Weighted residual factors for all reflections included in the refinement | 0.0367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257521 (current) | 2020-10-06 | cif/ Updating files of 7704880, 7704881, 7704882, 7704883, 7704884, 7704885 Original log message: Adding full bibliography for 7704880--7704885.cif. |
7704880.cif |
| 255002 | 2020-08-06 | cif/ Updating files of 7704880, 7704881, 7704882, 7704883, 7704884, 7704885 Original log message: Adding full bibliography for 7704880--7704885.cif. |
7704880.cif |
| 254424 | 2020-07-21 | cif/ Adding structures of 7704880, 7704881, 7704882, 7704883, 7704884, 7704885 via cif-deposit CGI script. |
7704880.cif |
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Users of the data should acknowledge the original authors of the
structural data.