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Information card for entry 4132484
Preview
| Coordinates | 4132484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H180 Au16 S12 |
|---|---|
| Calculated formula | C120 H180 Au16 S12 |
| SMILES | [Au]123[Au]45([Au]6789%10%11[Au]%12%13([Au]%14%15%16%1719[Au]19%1846[Au]46%19%20%21%14[Au]%14%22%2389([Au]71([S]%23C17CC8CC(C1)CC(C7)C8)[S]5C15CC7CC(C1)CC(C5)C7)[Au]1([Au]%10%12%16%20%22([Au]56%14([Au]([S]5C56CC7CC(C5)CC(C6)C7)[S]1C15CC6CC(C1)CC(C5)C6)[Au]1%21([Au]%154([S]1C14CC5CC(C1)CC(C4)C5)[S]%17C14CC5CC(C1)CC(C4)C5)[S]([Au]%19[S]%18C14CC5CC(C1)CC(C4)C5)C14CC5CC(C1)CC(C4)C5)[S]%13C14CC5CC(C1)CC(C4)C5)[S]%11C14CC5CC(C4)CC(C1)C5)[S]2C12CC4CC(C1)CC(C2)C4)[S]3C12CC3CC(C2)CC(C1)C3 |
| Title of publication | Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>. |
| Authors of publication | Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 35 |
| Pages of publication | 10988 - 10994 |
| a | 29.202 ± 0.003 Å |
| b | 18.1799 ± 0.0012 Å |
| c | 27.6543 ± 0.0018 Å |
| α | 90° |
| β | 97.913 ± 0.006° |
| γ | 90° |
| Cell volume | 14542 ± 2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 299.84 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1726 |
| Residual factor for significantly intense reflections | 0.1078 |
| Weighted residual factors for significantly intense reflections | 0.2363 |
| Weighted residual factors for all reflections included in the refinement | 0.2717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242457 (current) | 2019-11-26 | cif/ Adding structures of 4132484 via cif-deposit CGI script. |
4132484.cif |
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Users of the data should acknowledge the original authors of the
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