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Information card for entry 2021972
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| Coordinates | 2021972.cif |
|---|---|
| Structure factors | 2021972.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraethylammonium tetrathiorhenate |
|---|---|
| Formula | C8 H20 N Re S4 |
| Calculated formula | C8.0016 H20.004 N1.0002 Re S4 |
| Title of publication | Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~] |
| Authors of publication | Bernhardt, Eduard; Herbst-Irmer, Regine |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 8.15 ± 0.002 Å |
| b | 8.15 ± 0.003 Å |
| c | 13.092 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 753.1 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections included in the refinement | 0.0475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247978 (current) | 2020-02-08 | cif/ hkl/ Adding structures of 2021972, 2021973, 2021974 via cif-deposit CGI script. |
2021972.cif 2021972.hkl |
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Users of the data should acknowledge the original authors of the
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