Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7721138
Preview
| Coordinates | 7721138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl2 O Se |
|---|---|
| Calculated formula | Cl2 O Se |
| Title of publication | Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment |
| Authors of publication | Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 19.6148 ± 0.0009 Å |
| b | 4.3852 ± 0.0002 Å |
| c | 28.1888 ± 0.0013 Å |
| α | 90° |
| β | 98.249 ± 0.002° |
| γ | 90° |
| Cell volume | 2399.57 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306580 (current) | 2026-06-16 | cif/ Adding structures of 7721136, 7721137, 7721138, 7721139 via cif-deposit CGI script. |
7721138.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.