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Information card for entry 7118264
Preview
| Coordinates | 7118264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cl Cu N4 O2 |
|---|---|
| Calculated formula | C18 H18 Cl Cu N4 O2 |
| SMILES | C1(N(C=CN1Cc1cc(N(=O)=O)ccn1)c1c(cc(cc1C)C)C)=[Cu]Cl |
| Title of publication | Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF? |
| Authors of publication | Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 14 |
| Pages of publication | 2932 - 2935 |
| a | 9.0636 ± 0.0013 Å |
| b | 9.6375 ± 0.0013 Å |
| c | 20.925 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1827.8 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7118264.cif |
| 177691 | 2016-03-05 | cif/ Updating files of 7118258, 7118259, 7118260, 7118261, 7118262, 7118263, 7118264, 7118265, 7118266 Original log message: Adding full bibliography for 7118258--7118266.cif. |
7118264.cif |
| 173479 | 2016-01-05 | cif/ Adding structures of 7118258, 7118259, 7118260, 7118261, 7118262, 7118263, 7118264, 7118265, 7118266 via cif-deposit CGI script. |
7118264.cif |
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Users of the data should acknowledge the original authors of the
structural data.