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Information card for entry 7038768
Preview
Coordinates | 7038768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H30 F6 Ir N7 O2 P2 |
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Calculated formula | C44 H30 F6 Ir N7 O2 P2 |
SMILES | c1(C(F)(F)F)nc2c(cn1)c1cccc[n]1[Ir]132(c2c(cnc(C(F)(F)F)n2)c2cccc[n]12)[O]=P(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)O3 |
Title of publication | Crystal structure, photoluminescence and electroluminescence of three bluish green light-emitting iridium complexes. |
Authors of publication | Xu, Qiu-Lei; Liang, Xiao; Jiang, Liang; Zhao, Yue; Zheng, You-Xuan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7366 - 7372 |
a | 11.212 ± 0.0003 Å |
b | 17.6716 ± 0.0005 Å |
c | 20.9835 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4157.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0549 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1514 |
Weighted residual factors for all reflections included in the refinement | 0.153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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