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Information card for entry 1558003
Preview
| Coordinates | 1558003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H74 K2 N2 Ni4 O14 S12 |
|---|---|
| Calculated formula | C72 H74 K2 N2 Ni4 O14 S12 |
| 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 | 13.588 ± 0.003 Å |
| b | 19.062 ± 0.004 Å |
| c | 16.764 ± 0.003 Å |
| α | 90° |
| β | 100.11 ± 0.03° |
| γ | 90° |
| Cell volume | 4274.7 ± 1.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1006 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251747 (current) | 2020-05-05 | cif/ Adding structures of 1558003 via cif-deposit CGI script. |
1558003.cif |
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