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Information card for entry 1548899
Preview
| Coordinates | 1548899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 Co F6 N7 O6 S2 |
|---|---|
| Calculated formula | C21 H29 Co F6 N7 O6 S2 |
| SMILES | [Co]123([n]4ccc(cc4C[N]41CC[N]2(C)CC[N]3(C)CC4)C#N)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. |
| Authors of publication | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 2609 - 2619 |
| a | 14.2091 ± 0.0005 Å |
| b | 13.4658 ± 0.0004 Å |
| c | 15.184 ± 0.0005 Å |
| α | 90° |
| β | 93.295 ± 0.0008° |
| γ | 90° |
| Cell volume | 2900.46 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0309 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228801 (current) | 2019-11-17 | cif/ Updating files of 1548897, 1548898, 1548899, 1548900, 1548901, 1548902 Original log message: Adding full bibliography for 1548897--1548902.cif. |
1548899.cif |
| 206348 | 2018-02-10 | cif/ Adding structures of 1548897, 1548898, 1548899, 1548900, 1548901, 1548902 via cif-deposit CGI script. |
1548899.cif |
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Users of the data should acknowledge the original authors of the
structural data.