Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000236
Preview
| Coordinates | 8000236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Au28(SR)20 |
|---|---|
| Formula | C120 H220 Au28 S20 |
| Calculated formula | C120 H220 Au28 S20 |
| Title of publication | Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0). |
| Authors of publication | Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 866 - 870 |
| a | 26.4855 ± 0.0012 Å |
| b | 34.211 ± 0.002 Å |
| c | 21.8681 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19814.6 ± 1.7 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.2558 |
| Residual factor for significantly intense reflections | 0.1684 |
| Weighted residual factors for significantly intense reflections | 0.3882 |
| Weighted residual factors for all reflections included in the refinement | 0.4629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.529 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000236.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000236.cif |
| 193323 | 2017-03-04 | cif/ Adding structures of 8000236 via cif-deposit CGI script. |
8000236.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.