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Information card for entry 7034270
Preview
| Coordinates | 7034270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H41 B Cu F4 N3 O P2 |
|---|---|
| Calculated formula | C51 H41 B Cu F4 N3 O P2 |
| SMILES | [Cu]12([n]3n(c4ccccc4)ccc3c3[n]2c(ccc3)C)[P](c2ccccc2Oc2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands. |
| Authors of publication | Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 15 |
| Pages of publication | 6706 - 6710 |
| a | 10.1555 ± 0.0002 Å |
| b | 14.5701 ± 0.0003 Å |
| c | 14.7592 ± 0.0003 Å |
| α | 90° |
| β | 92.645 ± 0.002° |
| γ | 90° |
| Cell volume | 2181.54 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034270.cif |
| 180048 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/42. |
7034270.cif |
| 134975 | 2015-04-06 | cif/ Updating files of 7034270, 7034271, 7034272, 7034273, 7034274 Original log message: Adding full bibliography for 7034270--7034274.cif. |
7034270.cif |
| 133059 | 2015-03-05 | cif/ Adding structures of 7034270, 7034271, 7034272, 7034273, 7034274 via cif-deposit CGI script. |
7034270.cif |
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