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Information card for entry 7054831
Preview
Coordinates | 7054831.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H20 F3 Ir N6 |
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Calculated formula | C30 H20 F3 Ir N6 |
SMILES | [Ir]123(c4c(c5cccc[n]25)cccc4)(c2ccccc2c2cccc[n]32)[n]2ccccc2c2n1nc(C(F)(F)F)n2 |
Title of publication | Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands |
Authors of publication | Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 7 |
Pages of publication | 5293 |
a | 9.307 ± 0.007 Å |
b | 12.792 ± 0.009 Å |
c | 13.798 ± 0.01 Å |
α | 96.684 ± 0.007° |
β | 98.707 ± 0.007° |
γ | 109.386 ± 0.006° |
Cell volume | 1507.1 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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