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Information card for entry 7040754
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| Coordinates | 7040754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(2,2'-bipyridine)-bis-(2-[(1,1'-biphenyl)-3-yl]pyridine)-iridium(III)] hexafluorophosphate |
|---|---|
| Formula | C44 H32 F6 Ir N4 P |
| Calculated formula | C44 H32 F6 Ir N4 P |
| SMILES | c12ccc(cc1c1cccc[n]1[Ir]132(c2ccc(cc2c2cccc[n]32)c2ccccc2)[n]2ccccc2c2cccc[n]12)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs. |
| Authors of publication | Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 44 |
| Pages of publication | 17807 - 17823 |
| a | 15.17 ± 0.006 Å |
| b | 13.235 ± 0.005 Å |
| c | 22.479 ± 0.006 Å |
| α | 90° |
| β | 126.298 ± 0.017° |
| γ | 90° |
| Cell volume | 3637 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190195 (current) | 2017-01-09 | cif/ Updating files of 7040751, 7040752, 7040753, 7040754, 7040755, 7040756, 7040757 Original log message: Adding full bibliography for 7040751--7040757.cif. |
7040754.cif |
| 186817 | 2016-09-28 | cif/ Adding structures of 7040751, 7040752, 7040753, 7040754, 7040755, 7040756, 7040757 via cif-deposit CGI script. |
7040754.cif |
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Users of the data should acknowledge the original authors of the
structural data.