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Information card for entry 4123529
Preview
| Coordinates | 4123529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C144 H162 Au24 Cd S18 |
|---|---|
| Calculated formula | C144 H162 Au24 Cd S18 |
| SMILES | C(Cc1ccccc1)[S]1[Au][S](CCc2ccccc2)[Au][S](CCc2ccccc2)[Au]2[Cd]345([Au]1[Au]4[S]([Au][S](CCc1ccccc1)[Au][S](CCc1ccccc1)[Au]23)CCc1ccccc1)[Au]1[Au]([S]([Au][S]([Au][S](CCc2ccccc2)[Au]5[Au][S]([Au][S]([Au][S]1CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)[Au]1[Au][S]([Au][S]([Au][S]([Au][Au][S]([Au][S](CCc2ccccc2)[Au][S]1CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1 |
| Title of publication | Metal exchange method using au25 nanoclusters as templates for alloy nanoclusters with atomic precision. |
| Authors of publication | Wang, Shuxin; Song, Yongbo; Jin, Shan; Liu, Xia; Zhang, Jun; Pei, Yong; Meng, Xiangming; Chen, Man; Li, Peng; Zhu, Manzhou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 12 |
| Pages of publication | 4018 - 4021 |
| a | 31.5198 ± 0.0008 Å |
| b | 26.9873 ± 0.0007 Å |
| c | 18.5832 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15807.5 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4123529.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4123529.cif |
| 134803 | 2015-04-04 | cif/ Updating files of 4123529 Original log message: Adding full bibliography for 4123529.cif. |
4123529.cif |
| 134349 | 2015-03-25 | cif/ Adding structures of 4123529 via cif-deposit CGI script. |
4123529.cif |
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