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Information card for entry 2023514
Preview
| Coordinates | 2023514.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II) |
|---|---|
| Formula | C36 H36 Ni S4 |
| Calculated formula | C36 H36 Ni S4 |
| Title of publication | Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II) |
| Authors of publication | Das Gupta, Titir; Guite, Jackson; Hirt, LiWen; Zhang, Xiaodong; Donahue, James P. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 8.4446 ± 0.0002 Å |
| b | 14.0911 ± 0.0002 Å |
| c | 13.588 ± 0.0002 Å |
| α | 90° |
| β | 96.133 ± 0.001° |
| γ | 90° |
| Cell volume | 1607.63 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299764 (current) | 2025-05-21 | cif/ Adding structures of 2023514 via cif-deposit CGI script. |
2023514.cif |
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