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Information card for entry 4519436
Preview
| Coordinates | 4519436.cif |
|---|---|
| Structure factors | 4519436.hkl |
| Original paper (by DOI) | HTML |
| Formula | C22 H22 Cl2 N22 Ni O8 |
|---|---|
| Calculated formula | C22 H22 Cl2 N22 Ni O8 |
| Title of publication | Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes |
| Authors of publication | Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2022 |
| Journal volume | 5 |
| Pages of publication | 11077 - 11090 |
| a | 18.678 ± 0.0008 Å |
| b | 10.7344 ± 0.0004 Å |
| c | 16.0745 ± 0.0007 Å |
| α | 90° |
| β | 98.829 ± 0.001° |
| γ | 90° |
| Cell volume | 3184.7 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280037 (current) | 2022-12-24 | cif/ hkl/ Adding structures of 4519436 via cif-deposit CGI script. |
4519436.cif 4519436.hkl |
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