Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572938
Preview
| Coordinates | 1572938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C122 H113 B3 F12 N43 Pd2 |
|---|---|
| Calculated formula | C100 H80 B3 F12 N32 Pd2 |
| Title of publication | Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage |
| Authors of publication | Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 16.859 ± 0.003 Å |
| b | 23.453 ± 0.005 Å |
| c | 17.529 ± 0.01 Å |
| α | 90° |
| β | 90.35 ± 0.03° |
| γ | 90° |
| Cell volume | 6931 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | I 1 2/m 1 |
| Hall space group symbol | -I 2y |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295608 (current) | 2024-10-25 | cif/ Adding structures of 1572937, 1572938, 1572939, 1572940, 1572941 via cif-deposit CGI script. |
1572938.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.