Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7721127
Preview
| Coordinates | 7721127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Cl3 In O6 |
|---|---|
| Calculated formula | C12 H24 Cl3 In O6 |
| Title of publication | Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride |
| Authors of publication | Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 21.8566 ± 0.0014 Å |
| b | 18.1426 ± 0.0011 Å |
| c | 14.1932 ± 0.0008 Å |
| α | 90° |
| β | 97.734 ± 0.002° |
| γ | 90° |
| Cell volume | 5576.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1589 |
| Residual factor for significantly intense reflections | 0.0774 |
| Weighted residual factors for significantly intense reflections | 0.1889 |
| Weighted residual factors for all reflections included in the refinement | 0.2255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306561 (current) | 2026-06-12 | cif/ Adding structures of 7721123, 7721124, 7721125, 7721126, 7721127 via cif-deposit CGI script. |
7721127.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.