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Information card for entry 1566374
Preview
| Coordinates | 1566374.cif |
|---|---|
| Structure factors | 1566374.hkl |
| Original IUCr paper | HTML |
| Common name | Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II) |
|---|---|
| Chemical name | Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II) |
| Formula | C28 H16 Cl4 Ni S4 |
| Calculated formula | C28 H16 Cl4 Ni S4 |
| SMILES | [Ni]12(SC(=C(S2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)SC(=C(S1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
| Title of publication | Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II) |
| Authors of publication | Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P. |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | x220148 |
| a | 9.5487 ± 0.0004 Å |
| b | 11.4141 ± 0.0004 Å |
| c | 15.0254 ± 0.0006 Å |
| α | 107.486 ± 0.002° |
| β | 94.791 ± 0.002° |
| γ | 111.423 ± 0.002° |
| Cell volume | 1419.16 ± 0.1 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273019 (current) | 2022-02-18 | cif/ hkl/ Adding structures of 1566374 via cif-deposit CGI script. |
1566374.cif 1566374.hkl |
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Users of the data should acknowledge the original authors of the
structural data.