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Information card for entry 4326030
Preview
Coordinates | 4326030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H27 Cl11 F8 Ir2 N4 |
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Calculated formula | C47 H27 Cl11 F8 Ir2 N4 |
SMILES | [Ir]123([Cl][Ir]45([Cl]1)([n]1c(c6c4cc(F)cc6F)cccc1)[n]1c(c4c5cc(F)cc4F)cccc1)([n]1c(c4c2cc(F)cc4F)cccc1)[n]1c(c2c3cc(F)cc2F)cccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Phosphorescent Binuclear Iridium Complexes Based on Terpyridine-Carboxylate: An Experimental and Theoretical Study |
Authors of publication | Eugen S. Andreiadis; Daniel Imbert; Jacques Pécaut; Adrian Calborean; Ilaria Ciofini; Carlo Adamo; Renaud Demadrille; Marinella Mazzanti |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8197 - 8206 |
a | 12.4833 ± 0.0017 Å |
b | 19.596 ± 0.003 Å |
c | 21.318 ± 0.003 Å |
α | 90° |
β | 97.74 ± 0.003° |
γ | 90° |
Cell volume | 5167.4 ± 1.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0659 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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