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Information card for entry 2241665
Preview
| Coordinates | 2241665.cif |
|---|---|
| Structure factors | 2241665.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate |
|---|---|
| Formula | C13 H12.5 Br6 Cl1.5 O2 Re2 S8 |
| Calculated formula | C13 H12.5 Br6 Cl1.5 O2 Re2 S8 |
| Title of publication | Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate |
| Authors of publication | Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 712 - 715 |
| a | 27.1825 ± 0.0005 Å |
| b | 8.53737 ± 0.00013 Å |
| c | 26.0667 ± 0.0005 Å |
| α | 90° |
| β | 100.844 ± 0.0017° |
| γ | 90° |
| Cell volume | 5941.2 ± 0.19 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182302 (current) | 2016-04-28 | cif/ hkl/ Adding structures of 2241665 via cif-deposit CGI script. |
2241665.cif 2241665.hkl |
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Users of the data should acknowledge the original authors of the
structural data.