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Information card for entry 1558002
Preview
| Coordinates | 1558002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 O3 S2 |
|---|---|
| Calculated formula | C12 H10 O3 S2 |
| SMILES | S1C(=O)SC(=C1C(=O)OCC)c1ccccc1 |
| Title of publication | A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds |
| Authors of publication | Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola |
| Journal of publication | Inorganics |
| Year of publication | 2020 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 27 |
| a | 30.24 ± 0.006 Å |
| b | 3.9413 ± 0.0008 Å |
| c | 20.418 ± 0.004 Å |
| α | 90° |
| β | 107.77 ± 0.03° |
| γ | 90° |
| Cell volume | 2317.4 ± 0.9 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251746 (current) | 2020-05-05 | cif/ Adding structures of 1558002 via cif-deposit CGI script. |
1558002.cif |
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Users of the data should acknowledge the original authors of the
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