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Information card for entry 7129292
Preview
| Coordinates | 7129292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H24 F24 O8 S2 Te3 |
|---|---|
| Calculated formula | C44 H24 F24 O8 S2 Te3 |
| Title of publication | Dicationic oligotelluroxane or mononuclear telluronium cation? Elucidation of true catalytic species and activation mechanism of benzylic carbon-halogen bond |
| Authors of publication | Takagi, Koji; Sakakibara, Nao; Kikkawa, Shoko; Tsuzuki, Seiji |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 12.489 ± 0.0003 Å |
| b | 15.9524 ± 0.0004 Å |
| c | 16.1392 ± 0.0003 Å |
| α | 63.246 ± 0.002° |
| β | 87.5183 ± 0.0017° |
| γ | 89.945 ± 0.0019° |
| Cell volume | 2867.88 ± 0.12 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0749 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270840 (current) | 2021-11-24 | cif/ Adding structures of 7129292 via cif-deposit CGI script. |
7129292.cif |
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