Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550199
Preview
| Coordinates | 1550199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C162 H168 Ag33 Au F27 N6 O24 S20 |
|---|---|
| Calculated formula | C162 H168 Ag33 Au F27 N6 O24 S19.9998 |
| Title of publication | New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure |
| Authors of publication | Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan |
| Journal of publication | Nanoscale |
| Year of publication | 2018 |
| a | 30.3706 ± 0.0005 Å |
| b | 30.3706 ± 0.0005 Å |
| c | 39.4126 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 31482.7 ± 1 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211819 (current) | 2018-11-07 | cif/ Adding structures of 1550197, 1550198, 1550199 via cif-deposit CGI script. |
1550199.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.