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Information card for entry 4103772
Preview
| Coordinates | 4103772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H17 Al Cl2 N6 O3 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178783 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/37. |
4103772.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103772.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103772.cif |
| 28241 | 2011-10-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4103772 via cif-deposit CGI script. |
4103772.cif |
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Users of the data should acknowledge the original authors of the
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