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Information card for entry 1551467
Preview
| Coordinates | 1551467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H30 Br8 O6 P2 Si |
|---|---|
| Calculated formula | C24 H30 Br8 O6 P2 Si |
| SMILES | c12c(c(c(c(c1Br)Br)Br)Br)O[Si]1(O2)([O]=P(CC)(CC)CC)(Oc2c(c(c(c(c2Br)Br)Br)Br)O1)[O]=P(CC)(CC)CC |
| Title of publication | Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity |
| Authors of publication | Hartmann, Deborah; Schädler, Marcel; Greb, Lutz |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.927 ± 0.0016 Å |
| b | 9.241 ± 0.0018 Å |
| c | 12.596 ± 0.003 Å |
| α | 69.63 ± 0.03° |
| β | 81.67 ± 0.03° |
| γ | 79.5 ± 0.03° |
| Cell volume | 847.2 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551467.cif |
| 216033 | 2019-06-18 | cif/ Adding structures of 1551458, 1551459, 1551460, 1551461, 1551462, 1551463, 1551464, 1551465, 1551466, 1551467, 1551468, 1551469 via cif-deposit CGI script. |
1551467.cif |
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Users of the data should acknowledge the original authors of the
structural data.