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Information card for entry 1559065
Preview
| Coordinates | 1559065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | J_Me_BF4 |
|---|---|
| Formula | C64 H58 B3 Cl4 F13 S2 Sb2 |
| Calculated formula | C64 H58 B3 Cl4 F13 S2 Sb2 |
| Title of publication | Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport |
| Authors of publication | Park, Gyeongjin; Gabbaï, François P. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 15.494 ± 0.002 Å |
| b | 10.9891 ± 0.0016 Å |
| c | 19.761 ± 0.003 Å |
| α | 90° |
| β | 110.566 ± 0.007° |
| γ | 90° |
| Cell volume | 3150.2 ± 0.8 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 109.98 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256334 (current) | 2020-09-11 | cif/ Adding structures of 1559061, 1559062, 1559063, 1559064, 1559065 via cif-deposit CGI script. |
1559065.cif |
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Users of the data should acknowledge the original authors of the
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