Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245603
Preview
| Coordinates | 7245603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 |
|---|---|
| Calculated formula | C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 |
| Title of publication | Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay |
| Authors of publication | Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 32.9341 ± 0.0014 Å |
| b | 26.3182 ± 0.0014 Å |
| c | 20.9738 ± 0.0007 Å |
| α | 90° |
| β | 126.718 ± 0.004° |
| γ | 90° |
| Cell volume | 14572.4 ± 1.3 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.2283 |
| Weighted residual factors for all reflections included in the refinement | 0.2431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278328 (current) | 2022-10-04 | cif/ Adding structures of 7245602, 7245603, 7245604 via cif-deposit CGI script. |
7245603.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.