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Information card for entry 1550252
Preview
| Coordinates | 1550252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrabutylammonium hydroselenide |
|---|---|
| Formula | C16 H37 N Se |
| Calculated formula | C16 H37 N Se |
| SMILES | [SeH-].[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion |
| Authors of publication | Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 14.1628 ± 0.0005 Å |
| b | 14.0547 ± 0.0005 Å |
| c | 19.8443 ± 0.0007 Å |
| α | 90° |
| β | 110.832 ± 0.002° |
| γ | 90° |
| Cell volume | 3691.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212048 (current) | 2018-11-20 | cif/ Adding structures of 1550252, 1550253, 1550254 via cif-deposit CGI script. |
1550252.cif |
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