Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250520
Preview
| Coordinates | 7250520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H44 N2 O9 Se2 |
|---|---|
| Calculated formula | C18 H44 N2 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 | 15.70227 ± 0.00009 Å |
| b | 10.12297 ± 0.00005 Å |
| c | 16.96831 ± 0.00009 Å |
| α | 90° |
| β | 102.994 ± 0.0006° |
| γ | 90° |
| Cell volume | 2628.11 ± 0.03 Å3 |
| Cell temperature | 299.19 ± 0.1 K |
| Ambient diffraction temperature | 299.19 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0251 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7250520.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.