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Information card for entry 4510222
Preview
| Coordinates | 4510222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H90 Au25 S18 |
|---|---|
| Calculated formula | C36 H90 Au25 S18 |
| SMILES | C(C)[S]1[Au]2345[Au]6789%10%11%12%13%14%15[Au]%16%17%18%192[S](CC)[Au][S](CC)[Au][S]([Au]2%20%21%22%13[Au]%13%2337%17[S](CC)[Au][S](CC)[Au][S]([Au]37%175%15[Au]5%15%246%16[Au]([S](CC)[Au]1)[S](CC)[Au]169%18%24[Au]9%1683%15[S](CC)[Au][S](CC)[Au][S]([Au]%14%19%21%236[Au]3%121%16[S](CC)[Au][S](CC)[Au]%22[S](CC)[Au]4%102%137[Au]%11%20%1793[S](CC)[Au][S](CC)[Au][S]5CC)CC)CC)CC |
| Title of publication | Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-ray Crystallography and Electron Nuclear Double Resonance. |
| Authors of publication | Dainese, Tiziano; Antonello, Sabrina; Gascón, José A; Pan, Fangfang; Perera, Neranjan V.; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Rissanen, Kari; Maran, Flavio |
| Journal of publication | ACS nano |
| Year of publication | 2014 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 3904 - 3912 |
| a | 13.7727 ± 0.0006 Å |
| b | 13.8864 ± 0.0006 Å |
| c | 14.1519 ± 0.0005 Å |
| α | 104.383 ± 0.003° |
| β | 101.406 ± 0.003° |
| γ | 119.292 ± 0.004° |
| Cell volume | 2116.9 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1635 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179649 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02. |
4510222.cif |
| 112699 | 2014-05-04 | cif/ Updating files of 4510222 Original log message: Adding full bibliography for 4510222.cif. |
4510222.cif |
| 108422 | 2014-04-02 | cif/ Adding structures of 4510222 via cif-deposit CGI script. |
4510222.cif |
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Users of the data should acknowledge the original authors of the
structural data.