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Information card for entry 2243349
Preview
Coordinates | 2243349.cif |
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Structure factors | 2243349.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ~2~-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9<i>H</i>-fluoren-3-yl]iridium} pentane 0.3-solvate |
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Formula | C121.5 H143.6 Cl2 F4 Ir2 N4 |
Calculated formula | C121.5 H143.6 Cl2 F4 Ir2 N4 |
Title of publication | Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants |
Authors of publication | M'hamedi, Ahmed; Batsanov, Andrei S. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 3 |
Pages of publication | 392 - 399 |
a | 12.2744 ± 0.0007 Å |
b | 17.6132 ± 0.001 Å |
c | 25.3966 ± 0.0015 Å |
α | 105.119 ± 0.002° |
β | 93.787 ± 0.002° |
γ | 90.779 ± 0.002° |
Cell volume | 5286.2 ± 0.5 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0807 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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250394 (current) | 2020-04-06 | cif/ hkl/ Adding structures of 2243348, 2243349, 2243350, 2243351 via cif-deposit CGI script. |
2243349.cif 2243349.hkl |
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Users of the data should acknowledge the original authors of the
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