Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128338
Preview
| Coordinates | 4128338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C210 H228 Ag2 F18 Ir6 N24 O26 S6 |
|---|---|
| Calculated formula | C191.5 H182 Ag2 F10.5 Ir6 N22 O10.5 S3.5 |
| Title of publication | Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot. |
| Authors of publication | Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 16057 - 16063 |
| a | 28.2902 ± 0.0019 Å |
| b | 21.3553 ± 0.0016 Å |
| c | 36.871 ± 0.003 Å |
| α | 90° |
| β | 101.089 ± 0.003° |
| γ | 90° |
| Cell volume | 21860 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 172.99 K |
| Number of distinct elements | 8 |
| 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221461 (current) | 2019-11-03 | cif/ Adding structures of 4128338 via cif-deposit CGI script. |
4128338.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.