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Information card for entry 7103310
Preview
Coordinates | 7103310.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H26 F4 Ir N3 O |
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Calculated formula | C45 H26 F4 Ir N3 O |
SMILES | [Ir]123(Oc4ccccc4C=[N]1c1ccc4c5ccccc5c5c4c1ccc5)([n]1c(c4c2cc(F)cc4F)cccc1)[n]1c(c2c3cc(F)cc2F)cccc1 |
Title of publication | Comment on 'aggregation-induced phosphorescent emission (AIPE) of iridium(III) complexes': origin of the enhanced phosphorescence. |
Authors of publication | You, Youngmin; Huh, Hyun Sue; Kim, Kil Suk; Lee, Soon W; Kim, Dongho; Park, Soo Young |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 34 |
Pages of publication | 3998 - 4000 |
a | 13.5267 ± 0.0006 Å |
b | 24.8476 ± 0.0011 Å |
c | 23.8083 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8002.1 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1401 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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