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Information card for entry 1553986
Preview
| Coordinates | 1553986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H132 Au13 Cl5 P12 |
|---|---|
| Calculated formula | C150 H132 Au13 Cl5 P12 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au]234[Au]56789%10%11%12%13%14[Au]%15%162([P](c2ccccc2)(c2ccccc2)C1)[Au]12%175[P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[Au]%10%162[Au]25%14[P](c%10ccccc%10)(c%10ccccc%10)C[P]([Au]%10%1495[Au]597([P](c7ccccc7)(c7ccccc7)C[P](c7ccccc7)(c7ccccc7)[Au]4%12%145)[Au]482%10[P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au]%1394[Au]2%11%17[P](c4ccccc4)(c4ccccc4)C[P]([Au]36%1512)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-] |
| Title of publication | Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. |
| Authors of publication | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 1251 - 1258 |
| a | 19.878 ± 0.002 Å |
| b | 19.878 ± 0.002 Å |
| c | 27.361 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9362.8 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 163 |
| Hermann-Mauguin space group symbol | P -3 1 c |
| Hall space group symbol | -P 3 2c |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236264 (current) | 2019-11-24 | cif/ Adding structures of 1553986, 1553987, 1553988 via cif-deposit CGI script. |
1553986.cif |
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