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Information card for entry 7129447
Preview
| Coordinates | 7129447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 F6 N4 Ni O6 S4 |
|---|---|
| Calculated formula | C20 H20 F6 N4 Ni O6 S4 |
| SMILES | [Ni]123([S]4Cc5[n]2c(ccc5)C[S]1Cc1[n]3c(C4)ccc1)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Electrocatalytic H2 evolution promoted by a bioinspired (N2S2)Ni(II) complex |
| Authors of publication | Sinha, Soumalya; Tran, Giang N.; Na, Hanah; Mirica, Liviu M. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 11.1552 ± 0.0004 Å |
| b | 22.3576 ± 0.0007 Å |
| c | 11.9838 ± 0.0004 Å |
| α | 90° |
| β | 112.862 ± 0.0015° |
| γ | 90° |
| Cell volume | 2754.01 ± 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271562 (current) | 2021-12-22 | cif/ Adding structures of 7129447 via cif-deposit CGI script. |
7129447.cif |
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