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Information card for entry 7245039
Preview
| Coordinates | 7245039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H10 Hg2 O8 |
|---|---|
| Calculated formula | C16 H10 Hg2 O8 |
| SMILES | [Hg]([Hg]OC(=O)c1cc2OCOc2cc1)OC(=O)c1ccc2OCOc2c1 |
| Title of publication | A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions |
| Authors of publication | Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 12.9072 ± 0.0007 Å |
| b | 6.2378 ± 0.0003 Å |
| c | 19.2643 ± 0.001 Å |
| α | 90° |
| β | 98.396 ± 0.002° |
| γ | 90° |
| Cell volume | 1534.39 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0197 |
| Residual factor for significantly intense reflections | 0.0181 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275886 (current) | 2022-06-08 | cif/ Adding structures of 7245039 via cif-deposit CGI script. |
7245039.cif |
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Users of the data should acknowledge the original authors of the
structural data.