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Information card for entry 4084733
Preview
| Coordinates | 4084733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41.25 H61.5 B Cl0.5 F4 N4 O Os P2 |
|---|---|
| Calculated formula | C41.25 H61.5 B Cl0.5 F4 N4 O Os P2 |
| Title of publication | CCC–Pincer–NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs) |
| Authors of publication | Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5582 |
| a | 9.7134 ± 0.0013 Å |
| b | 11.085 ± 0.0015 Å |
| c | 21.093 ± 0.003 Å |
| α | 82.108 ± 0.002° |
| β | 84.676 ± 0.002° |
| γ | 76.085 ± 0.002° |
| Cell volume | 2179.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084733.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4084733.cif |
| 126806 | 2014-11-11 | cif/ Adding structures of 4084733, 4084734, 4084735, 4084736, 4084737 via cif-deposit CGI script. |
4084733.cif |
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Users of the data should acknowledge the original authors of the
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