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Information card for entry 7005240
Preview
Coordinates | 7005240.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H55 Cl6 Ir N2 O3 |
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Calculated formula | C74 H55 Cl6 Ir N2 O3 |
SMILES | [Ir]123([O]=C(C=C(O1)C)C)([n]1c(c4c2c(c2c(c4c4ccccc4)c4cccc5cccc2c45)c2ccccc2)cccc1)[n]1c(c2c3c(c3c(c2c2ccccc2)c2cccc4cccc3c24)c2ccccc2)cccc1.ClCCl.ClCCl.ClCCl.O |
Title of publication | Synthesis, structure and electroluminescent properties of cyclometalated iridium complexes possessing sterically hindered ligands. |
Authors of publication | Velusamy, Marappan; Thomas, K. R. Justin; Chen, Chih-Hsin; Lin, Jiann T.; Wen, Yuh S.; Hsieh, Wan-Ting; Lai, Chin-Hung; Chou, Pi-Tai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 28 |
Pages of publication | 3025 - 3034 |
a | 12.2327 ± 0.0004 Å |
b | 13.1476 ± 0.0004 Å |
c | 20.8703 ± 0.0006 Å |
α | 83.244 ± 0.002° |
β | 73.803 ± 0.001° |
γ | 77.343 ± 0.001° |
Cell volume | 3139.3 ± 0.17 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0293 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005240.html
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