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Information card for entry 7721137
Preview
| Coordinates | 7721137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | I8 O29 S9 Se4 |
|---|---|
| Calculated formula | I8 O29 S9 Se4 |
| 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 | 9.938 ± 0.0012 Å |
| b | 10.1369 ± 0.0013 Å |
| c | 10.4593 ± 0.0015 Å |
| α | 102.28 ± 0.005° |
| β | 97.127 ± 0.005° |
| γ | 94.689 ± 0.005° |
| Cell volume | 1015.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.