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Information card for entry 4128329
Preview
| Coordinates | 4128329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C112.5 H199 Au23 Pd S17 |
|---|---|
| Calculated formula | C112.5 H199 Au23 Pd S17 |
| Title of publication | Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping. |
| Authors of publication | Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 15994 - 16002 |
| a | 19.5656 ± 0.0003 Å |
| b | 26.9697 ± 0.0003 Å |
| c | 29.4945 ± 0.0004 Å |
| α | 92.24 ± 0.001° |
| β | 108.448 ± 0.001° |
| γ | 96.785 ± 0.001° |
| Cell volume | 14612 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128329.cif |
| 221452 | 2019-11-03 | cif/ Adding structures of 4128329 via cif-deposit CGI script. |
4128329.cif |
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Users of the data should acknowledge the original authors of the
structural data.