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Information card for entry 7242225
Preview
| Coordinates | 7242225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H9 Cl I N O |
|---|---|
| Calculated formula | C3 H9 Cl I N O |
| Title of publication | Polycentric binding in complexes of trimethylamine-N-oxide with dihalogens |
| Authors of publication | Zarechnaya, Olga M.; Anisimov, Aleksei A.; Belov, Eugenii Yu; Burakov, Nikolai I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 6131 - 6145 |
| a | 9.6049 ± 0.0001 Å |
| b | 7.6367 ± 0.0001 Å |
| c | 9.6337 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 706.629 ± 0.014 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.014 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.0343 |
| Weighted residual factors for all reflections included in the refinement | 0.0343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.281 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242225.cif |
| 261512 | 2021-02-04 | cif/ Adding structures of 7242225 via cif-deposit CGI script. |
7242225.cif |
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Users of the data should acknowledge the original authors of the
structural data.