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Information card for entry 7101809
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Coordinates | 7101809.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Bis(2, 5-bis (4-fluorophenyl)-1, 3, 4-oxadiazolato- N,C2)iridium (O,O-diethyldithiophosphate) |
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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 |
SMILES | c12c(cc(cc1)F)[Ir]13(c4c(ccc(c4)F)c4[n]1nc(c1ccc(cc1)F)o4)([n]1c2oc(c2ccc(cc2)F)n1)[S]=P(OCC)(OCC)S3 |
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 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0561 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101809.html
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