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Information card for entry 2312692
Preview
| Coordinates | 2312692.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (1,2-Dichloro-2-oxoethylidene)oxidanium hexafluoridoantimonate(V) |
|---|---|
| Formula | C2 H Cl2 F6 O2 Sb |
| Calculated formula | C2 H Cl2 F6 O2 Sb |
| Title of publication | Protonated oxalyl chloride and the ClCO<sup>+</sup> cation. |
| Authors of publication | Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 12 |
| a | 6.1616 ± 0.0008 Å |
| b | 10.8379 ± 0.001 Å |
| c | 6.8805 ± 0.0008 Å |
| α | 90° |
| β | 106.472 ± 0.013° |
| γ | 90° |
| Cell volume | 440.61 ± 0.09 Å3 |
| Cell temperature | 106 ± 2 K |
| Ambient diffraction temperature | 106 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296043 (current) | 2024-11-21 | cif/ Adding structures of 2312692, 2312693 via cif-deposit CGI script. |
2312692.cif |
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