Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7718799
Preview
| Coordinates | 7718799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 Cl5 I2 N2 Sb |
|---|---|
| Calculated formula | C13 H16 Cl5 I2 N2 Sb |
| Title of publication | Antimony vs bismuth: structural differences in Cat{[MCl5](I2)} halogen bond-linked supramolecular complexes |
| Authors of publication | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Novikov, Alexander S.; Adonin, Sergey A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 15.3811 ± 0.0012 Å |
| b | 14.2816 ± 0.0011 Å |
| c | 9.9869 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2193.8 ± 0.3 Å3 |
| Cell temperature | 274 K |
| Ambient diffraction temperature | 274 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299831 (current) | 2025-05-28 | cif/ Adding structures of 7718795, 7718796, 7718797, 7718798, 7718799, 7718800 via cif-deposit CGI script. |
7718799.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.