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Information card for entry 4516188
Preview
| Coordinates | 4516188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H124 Ir2 N10 O4 |
|---|---|
| Calculated formula | C108 H123.58 Ir2 N10 O5.79 |
| Title of publication | Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. |
| Authors of publication | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja |
| Journal of publication | ACS omega |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 2673 - 2682 |
| a | 9.0272 ± 0.0006 Å |
| b | 29.178 ± 0.002 Å |
| c | 18.4176 ± 0.0014 Å |
| α | 90° |
| β | 99.641 ± 0.002° |
| γ | 90° |
| Cell volume | 4782.6 ± 0.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130.01 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226174 (current) | 2019-11-10 | cif/ Adding structures of 4516188 via cif-deposit CGI script. |
4516188.cif |
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Users of the data should acknowledge the original authors of the
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