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Information card for entry 1571460
Preview
| Coordinates | 1571460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H68 N2 S4 Zn |
|---|---|
| Calculated formula | C44 H68 N2 S4 Zn |
| Title of publication | Metal-Cation-Induced Shifts in Thiolate Redox and Reduced Sulfur Speciation |
| Authors of publication | Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen Grayson; Tsui, Emily Y. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 15.6496 ± 0.0008 Å |
| b | 15.6496 ± 0.0008 Å |
| c | 18.1435 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4443.5 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291274 (current) | 2024-04-19 | cif/ Adding structures of 1571460 via cif-deposit CGI script. |
1571460.cif |
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Users of the data should acknowledge the original authors of the
structural data.