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Information card for entry 1516443
Preview
| Coordinates | 1516443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H37 B Cu F4 N3 O P2 |
|---|---|
| Calculated formula | C48 H37 B Cu F4 N3 O P2 |
| SMILES | [B](F)(F)(F)[F-].[n]12[Cu]3([n]4ccccc4c1[nH]c1c2cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]3(c1ccccc1)c1ccccc1 |
| Title of publication | Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications |
| Authors of publication | Zhang, Liming; Li, Bin; Su, Zhongmin |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2009 |
| Journal volume | 113 |
| Journal issue | 31 |
| Pages of publication | 13968 |
| a | 11.5602 ± 0.0006 Å |
| b | 15.13 ± 0.0008 Å |
| c | 25.815 ± 0.0013 Å |
| α | 90° |
| β | 96.195 ± 0.001° |
| γ | 90° |
| Cell volume | 4488.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1227 |
| Residual factor for significantly intense reflections | 0.0717 |
| Weighted residual factors for significantly intense reflections | 0.24 |
| Weighted residual factors for all reflections included in the refinement | 0.2771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516443.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516443.cif |
| 129586 | 2015-01-13 | cif/1 Fixing Z values and formulae for several entries |
1516443.cif |
| 114867 | 2014-05-29 | cif/ Adding structures of 1516442, 1516443 via cif-deposit CGI script. |
1516443.cif |
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Users of the data should acknowledge the original authors of the
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