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Information card for entry 1544157
Preview
| Coordinates | 1544157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H126 Au25 S18 |
|---|---|
| Calculated formula | C54 H126 Au25 S18 |
| Title of publication | A Magnetic Look into the Protecting Layer of Au25Clusters |
| Authors of publication | Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; Gascon, Jose; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| a | 17.771 ± 0.002 Å |
| b | 17.771 ± 0.002 Å |
| c | 27.217 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7443.8 ± 1.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0871 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544157.cif |
| 186646 | 2016-09-20 | cif/ Adding structures of 1544157 via cif-deposit CGI script. |
1544157.cif |
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Users of the data should acknowledge the original authors of the
structural data.