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Information card for entry 1542356
Preview
| Coordinates | 1542356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H30 Co N5 O2 |
|---|---|
| Calculated formula | C20 H30 Co N5 O2 |
| Title of publication | Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation |
| Authors of publication | Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 3264 |
| a | 14.9757 ± 0.0013 Å |
| b | 10.6987 ± 0.0013 Å |
| c | 24.941 ± 0.003 Å |
| α | 90° |
| β | 98.286 ± 0.008° |
| γ | 90° |
| Cell volume | 3954.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1531 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542356.cif |
| 182622 | 2016-05-06 | cif/ Updating files of 1542354, 1542355, 1542356, 1542357 Original log message: Adding full bibliography for 1542354--1542357.cif. |
1542356.cif |
| 175441 | 2016-02-03 | cif/ Adding structures of 1542354, 1542355, 1542356, 1542357 via cif-deposit CGI script. |
1542356.cif |
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Users of the data should acknowledge the original authors of the
structural data.