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Information card for entry 4128331
Preview
| Coordinates | 4128331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C144 H162 Au24 Pd S18 |
|---|---|
| Calculated formula | C144 H162 Au24 Pd S18 |
| SMILES | [S]1([Au]23[Au]45[Au]67[S](CCc8ccccc8)[Au][S](CCc8ccccc8)[Au][S]([Au]89[Au]%10%11[S]([Au][S](CCc%12ccccc%12)[Au][S]([Au]%12%13[Au]%14([S]([Au][S]([Au][S]4CCc4ccccc4)CCc4ccccc4)CCc4ccccc4)[Au]4([S]([Au][S]([Au]1)CCc1ccccc1)CCc1ccccc1)[Au]18[S](CCc8ccccc8)[Au][S](CCc8ccccc8)[Au][S]([Au]86[Au]6%12[S]([Au][S](CCc%12ccccc%12)[Au][S]([Au]2%10[Pd]3579%11%13%144186)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1 |
| 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 | 13.5826 ± 0.0015 Å |
| b | 16.0653 ± 0.0016 Å |
| c | 19.6261 ± 0.0019 Å |
| α | 112.202 ± 0.007° |
| β | 97.322 ± 0.009° |
| γ | 94.939 ± 0.007° |
| Cell volume | 3890.5 ± 0.7 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4128331.cif |
| 221454 | 2019-11-03 | cif/ Adding structures of 4128331 via cif-deposit CGI script. |
4128331.cif |
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