Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558594
Preview
| Coordinates | 1558594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C160 H184 F12 Ir4 N20 O26 S4 |
|---|---|
| Calculated formula | C125 H112 F3 Ir4 N16 O11 S |
| Title of publication | Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot |
| Authors of publication | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 30.1831 ± 0.0013 Å |
| b | 15.0508 ± 0.0008 Å |
| c | 33.4363 ± 0.0015 Å |
| α | 90° |
| β | 103.152 ± 0.002° |
| γ | 90° |
| Cell volume | 14791 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.21 |
| Weighted residual factors for all reflections included in the refinement | 0.2278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254327 (current) | 2020-07-16 | cif/ Adding structures of 1558590, 1558591, 1558592, 1558593, 1558594, 1558595 via cif-deposit CGI script. |
1558594.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.