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Information card for entry 2244073
Preview
| Coordinates | 2244073.cif |
|---|---|
| Structure factors | 2244073.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2-[({2-[(2-Aminoethyl-κ<i>N</i>)(methyl)amino-κ<i>N</i>]ethyl}imino-κ<i>N</i>)methyl]benzenethiolato-κ<i>S</i>}nickel(II) chloride |
|---|---|
| Formula | C12 H18 Cl N3 Ni S |
| Calculated formula | C12 H18 Cl N3 Ni S |
| Title of publication | Crystal structures and electrochemical properties of nickel(II) complexes with <i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>-tetradentate Schiff base ligands |
| Authors of publication | Hirotsu, Masakazu; Sanou, Junhei; Nakae, Toyotaka; Matsunaga, Takumi; Kinoshita, Isamu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 7.8601 ± 0.0014 Å |
| b | 9.8884 ± 0.0017 Å |
| c | 18.19 ± 0.003 Å |
| α | 90° |
| β | 98.677 ± 0.003° |
| γ | 90° |
| Cell volume | 1397.6 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274653 (current) | 2022-04-23 | cif/ hkl/ Adding structures of 2244073, 2244074 via cif-deposit CGI script. |
2244073.cif 2244073.hkl |
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Users of the data should acknowledge the original authors of the
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