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Information card for entry 7040687
Preview
Coordinates | 7040687.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H50 F6 Ir N6 P |
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Calculated formula | C60 H50 F6 Ir N6 P |
SMILES | [Ir]123([n]4c(cc(cc4)c4c(cc(cc4C)C)C)c4c2cccc4)([n]2c(cc(cc2)c2c(cc(cc2C)C)C)c2c3cccc2)[n]2c(cc(cc2)c2ccncc2)c2[n]1ccc(c2)c1ccncc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems. |
Authors of publication | Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17195 - 17205 |
a | 11.8073 ± 0.0011 Å |
b | 24.288 ± 0.002 Å |
c | 19.7882 ± 0.0019 Å |
α | 90° |
β | 103.905 ± 0.002° |
γ | 90° |
Cell volume | 5508.5 ± 0.9 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
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 | 0.0697 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.1724 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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