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Information card for entry 7234144
Preview
Coordinates | 7234144.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H30 F12 Ir N5 O2 P2 |
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Calculated formula | C48 H30 F12 Ir N5 O2 P2 |
SMILES | c1(ccccc1)P1(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=[O][Ir]23(c4c(c5cccc[n]25)c(C(F)(F)F)nc(c4)C(F)(F)F)(c2c(c4cccc[n]34)c(C(F)(F)F)nc(c2)C(F)(F)F)O1 |
Title of publication | Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility |
Authors of publication | Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 3694 - 3701 |
a | 15.798 ± 0.002 Å |
b | 18.067 ± 0.002 Å |
c | 18.657 ± 0.003 Å |
α | 83.329 ± 0.002° |
β | 87.048 ± 0.003° |
γ | 85.597 ± 0.002° |
Cell volume | 5268.6 ± 1.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
218828 (current) | 2019-09-25 | cif/ Adding structures of 7234143, 7234144, 7234145 via cif-deposit CGI script. |
7234144.cif |
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Users of the data should acknowledge the original authors of the
structural data.