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CIF Information Card
Information card for 7101809
7101808 << 7101809 >> 7101810Preview
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Coordinates |
7101809.cif |
Structure parameters
| Common name | Bis(2, 5-bis (4-fluorophenyl)-1, 3, 4-oxadiazolato- N,C2)iridium (O,O-diethyldithiophosphate) |
| Chemical name | Bis(2, 5-bis (4-fluorophenyl)-1, 3, 4-oxadiazolato-N,C2)iridium (O,O-diethyldithiophosphate) |
| Formula | - C32 H24 F4 Ir N4 O4 P S2 - |
| Calculated formula | - C32 H24 F4 Ir N4 O4 P S2 - |
| Title of publication | Novel, highly efficient blue-emitting heteroleptic iridium(III) complexes based on fluorinated 1,3,4-oxadiazole: tuning to blue by dithiolate ancillary ligands. |
| Authors of publication | Chen, Lianqing; You, Han; Yang, Chuluo; Ma, Dongge; Qin, Jingui |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 13 |
| Pages of publication | 1352 - 1354 |
| a | 11.884 ± 0.002 Å |
| b | 12.611 ± 0.003 Å |
| c | 14.567 ± 0.003 Å |
| α | 77.01 ± 0.03° |
| β | 66.69 ± 0.03° |
| γ | 62.94 ± 0.03° |
| Cell volume | 1783 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0561 |
| Residual factor for observed reflections | 0.0407 |
| Weighted residual factors for the observed reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for observed reflections | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |