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Information card for entry 2022815
Preview
| Coordinates | 2022815.cif |
|---|---|
| Structure factors | 2022815.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{<i>S</i>-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}nickel(II) |
|---|---|
| Formula | C28 H42 N4 Ni S6 |
| Calculated formula | C28 H42 N4 Ni S6 |
| Title of publication | Crystal structure of bis{S-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ2 N 3,S}nickel(II) |
| Authors of publication | Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 15.5444 ± 0.0006 Å |
| b | 5.5388 ± 0.0003 Å |
| c | 20.1592 ± 0.0008 Å |
| α | 90° |
| β | 103.675 ± 0.007° |
| γ | 90° |
| Cell volume | 1686.45 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285171 (current) | 2023-07-12 | cif/ hkl/ Adding structures of 2022815 via cif-deposit CGI script. |
2022815.cif 2022815.hkl |
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Users of the data should acknowledge the original authors of the
structural data.