Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003696
Preview
| Coordinates | 4003696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H81 Ag2.91 Au9.59 S9 |
|---|---|
| Calculated formula | C78 H81 Ag2.907 Au9.593 S9 |
| Title of publication | Doping Effect on the Magnetism of Thiolate-Capped 25-Atom Alloy Nanoclusters |
| Authors of publication | Li, Yingwei; Biswas, Saborni; Luo, Tian-Yi; Juarez-Mosqueda, Rosalba; Taylor, Michael G.; Mpourmpakis, Giannis; Rosi, Nathaniel L.; Hendrich, Michael P.; Jin, Rongchao |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 16.7728 ± 0.0014 Å |
| b | 24.4188 ± 0.0019 Å |
| c | 21.8661 ± 0.0017 Å |
| α | 90° |
| β | 91.092 ± 0.004° |
| γ | 90° |
| Cell volume | 8954.1 ± 1.2 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258531 (current) | 2020-10-22 | cif/ Adding structures of 4003696 via cif-deposit CGI script. |
4003696.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.