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Information card for entry 4126785
Preview
| Coordinates | 4126785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tetraethylammonium thorium hexanitrate |
|---|---|
| Formula | C16 H40 N8 O18 Th |
| Calculated formula | C16 N8 O18 Th |
| Title of publication | Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example. |
| Authors of publication | Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 18.4488 ± 0.0016 Å |
| b | 11.6708 ± 0.0016 Å |
| c | 15.7009 ± 0.0016 Å |
| α | 90° |
| β | 107.771 ± 0.0018° |
| γ | 90° |
| Cell volume | 3219.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203795 (current) | 2017-11-30 | cif/ Adding structures of 4126784, 4126785, 4126786 via cif-deposit CGI script. |
4126785.cif |
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Users of the data should acknowledge the original authors of the
structural data.