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Information card for entry 1543651
Preview
| Coordinates | 1543651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39.5 H18.5 Cl11.5 F10 O3 P Sb |
|---|---|
| Calculated formula | C39.5 H18.5 Cl11.5 F10 O3 P Sb |
| SMILES | [Sb]12(OC[P+](c3c2cccc3)(c2ccccc2)c2ccccc2)(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions |
| Authors of publication | Tofan, Daniel; Gabbaï, François P. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 11 |
| Pages of publication | 6768 |
| a | 13.9283 ± 0.0006 Å |
| b | 13.9709 ± 0.0006 Å |
| c | 14.2499 ± 0.0007 Å |
| α | 102.466 ± 0.002° |
| β | 110.1 ± 0.002° |
| γ | 106.711 ± 0.002° |
| Cell volume | 2336.4 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543651.cif |
| 188063 | 2016-11-08 | cif/ Updating files of 1543644, 1543645, 1543646, 1543647, 1543648, 1543649, 1543650, 1543651, 1543652 Original log message: Adding full bibliography for 1543644--1543652.cif. |
1543651.cif |
| 184375 | 2016-07-12 | cif/ Adding structures of 1543644, 1543645, 1543646, 1543647, 1543648, 1543649, 1543650, 1543651, 1543652 via cif-deposit CGI script. |
1543651.cif |
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Users of the data should acknowledge the original authors of the
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