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Information card for entry 7223324
Preview
Coordinates | 7223324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H40 F6 Ir N4 O2 P |
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Calculated formula | C50 H40 F6 Ir N4 O2 P |
SMILES | [Ir]123([n]4c(c5c2cccc5)cccc4)([n]2c(c4c3cccc4)cccc2)[n]2ccc(cc2c2[n]1ccc(c2)/C=C/c1ccccc1OC)/C=C/c1ccccc1OC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior |
Authors of publication | Sinha, Soumalya; Mandal, Soumik; Gupta, Parna |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 120 |
Pages of publication | 99529 |
a | 15.991 ± 0.012 Å |
b | 13.426 ± 0.01 Å |
c | 22.927 ± 0.017 Å |
α | 90° |
β | 99.761 ± 0.012° |
γ | 90° |
Cell volume | 4851 ± 6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.112489 |
Residual factor for significantly intense reflections | 0.070144 |
Weighted residual factors for all reflections included in the refinement | 0.189751 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971271 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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