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Information card for entry 7250519
Preview
| Coordinates | 7250519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 N3 O9 Se2 |
|---|---|
| Calculated formula | C27 H27 N3 O9 Se2 |
| 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 | 9.91309 ± 0.00016 Å |
| b | 10.3638 ± 0.0002 Å |
| c | 14.6046 ± 0.0003 Å |
| α | 76.9481 ± 0.0016° |
| β | 89.2209 ± 0.0014° |
| γ | 71.1833 ± 0.0016° |
| Cell volume | 1380.7 ± 0.05 Å3 |
| Cell temperature | 298.4 ± 0.2 K |
| Ambient diffraction temperature | 298.4 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7250519.cif |
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Users of the data should acknowledge the original authors of the
structural data.