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Information card for entry 7240672
Preview
| Coordinates | 7240672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H56 Cu F6 N2 O3 P3 |
|---|---|
| Calculated formula | C69 H56 Cu F6 N2 O3 P3 |
| SMILES | c1(cc(c2ccc3c(cc(C)[n]4c3c2[n]1[Cu]14[P]2(c3c4c(ccc3)C(c3cccc(c3O4)[P]31c1cc(ccc1Oc1c3cc(cc1)C)C)(C)C)c1cc(ccc1Oc1c2cc(cc1)C)C)c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media |
| Authors of publication | Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 14 |
| Pages of publication | 4541 - 4549 |
| a | 25.4166 ± 0.0016 Å |
| b | 16.5833 ± 0.001 Å |
| c | 14.6422 ± 0.0008 Å |
| α | 90° |
| β | 105.981 ± 0.002° |
| γ | 90° |
| Cell volume | 5933 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240672.cif |
| 257608 | 2020-10-06 | cif/ Updating files of 7240672 Original log message: Adding full bibliography for 7240672.cif. |
7240672.cif |
| 255023 | 2020-08-06 | cif/ Updating files of 7240672 Original log message: Adding full bibliography for 7240672.cif. |
7240672.cif |
| 253029 | 2020-06-09 | cif/ Adding structures of 7240672 via cif-deposit CGI script. |
7240672.cif |
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