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Information card for entry 7250522
Preview
| Coordinates | 7250522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H6 N O4 Se |
|---|---|
| Calculated formula | C5 H6 N O4 Se |
| Title of publication | Proton Delocalization in Short Hydrogen Bonds Assembling HSeO4– Anions into Supramolecular Adducts |
| Authors of publication | Beccaria, Roberta; Pizzi, Andrea; Chakalov, Edem R.; Resnati, Giuseppe; Tolstoy, Peter |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 16.7423 ± 0.0002 Å |
| b | 5.11409 ± 0.00007 Å |
| c | 18.4872 ± 0.0003 Å |
| α | 90° |
| β | 118.292 ± 0.0019° |
| γ | 90° |
| Cell volume | 1393.81 ± 0.04 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0193 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300009 (current) | 2025-06-07 | cif/ Adding structures of 7250517, 7250518, 7250519, 7250520, 7250521, 7250522, 7250523 via cif-deposit CGI script. |
7250522.cif |
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Users of the data should acknowledge the original authors of the
structural data.