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Information card for entry 7035776
Preview
Coordinates | 7035776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H20 F10 Ir N6 P |
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Calculated formula | C36 H20 F10 Ir N6 P |
SMILES | [Ir]123([n]4c5c(ccc4)c4c(c6c5[n]1ccc6)nccn4)([n]1c(cccc1)c1c2cc(cc1F)F)[n]1c(cccc1)c1c3cc(cc1F)F.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | A comparative study of Ir(iii) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs). |
Authors of publication | González, Iván; Dreyse, Paulina; Cortés-Arriagada, Diego; Sundararajan, Mahesh; Morgado, Claudio; Brito, Iván; Roldán-Carmona, Cristina; Bolink, Henk J.; Loeb, Bárbara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 33 |
Pages of publication | 14771 - 14781 |
a | 8.5942 ± 0.0006 Å |
b | 11.745 ± 0.0008 Å |
c | 18.1823 ± 0.0011 Å |
α | 71.872 ± 0.005° |
β | 85.63 ± 0.005° |
γ | 77.149 ± 0.005° |
Cell volume | 1700.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7035776.html
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Users of the data should acknowledge the original authors of the
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