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Information card for entry 4103772
Preview
Coordinates | 4103772.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H17 Al Cl2 N6 O3 |
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Calculated formula | C25 H17 Al Cl2 N6 O3 |
SMILES | [Al]123(Oc4ccnc5ccc[n]1c45)(Oc1ccnc4ccc[n]2c14)Oc1ccnc2ccc[n]3c12.ClCCl |
Title of publication | Hydroxynaphthyridine-Derived Group III Metal Chelates: Wide Band Gap and Deep Blue Analogues of Green Alq3(Tris(8-hydroxyquinolate)aluminum) and Their Versatile Applications for Organic Light-Emitting Diodes |
Authors of publication | Szu-Hung Liao; Jin-Ruei Shiu; Shun-Wei Liu; Shi-Jay Yeh; Yu-Hung Chen; Chin-Ti Chen; Tahsin J. Chow; Chih-I Wu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 763 - 777 |
a | 7.9946 ± 0.0007 Å |
b | 12.0879 ± 0.0011 Å |
c | 13.1153 ± 0.0012 Å |
α | 70.346 ± 0.002° |
β | 82.95 ± 0.002° |
γ | 84.082 ± 0.002° |
Cell volume | 1181.98 ± 0.18 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 | 0.0857 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1663 |
Weighted residual factors for all reflections included in the refinement | 0.1748 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
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/4103772.html
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Users of the data should acknowledge the original authors of the
structural data.