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Information card for entry 7242640
Preview
| Coordinates | 7242640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H64 N6 Ni O2 |
|---|---|
| Calculated formula | C42 H64 N6 Ni O2 |
| Title of publication | Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate |
| Authors of publication | Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 9 |
| Pages of publication | 3365 - 3373 |
| a | 12.7952 ± 0.0001 Å |
| b | 18.3813 ± 0.0001 Å |
| c | 18.9751 ± 0.0001 Å |
| α | 90° |
| β | 109.067 ± 0.001° |
| γ | 90° |
| Cell volume | 4217.96 ± 0.05 Å3 |
| Cell temperature | 173.01 ± 0.1 K |
| Ambient diffraction temperature | 173.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266116 (current) | 2021-06-05 | cif/ Updating files of 7242639, 7242640, 7242641, 7242642, 7242643, 7242644 Original log message: Adding full bibliography for 7242639--7242644.cif. |
7242640.cif |
| 264069 | 2021-04-13 | cif/ Adding structures of 7242639, 7242640, 7242641, 7242642, 7242643, 7242644 via cif-deposit CGI script. |
7242640.cif |
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Users of the data should acknowledge the original authors of the
structural data.