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Information card for entry 2244071
Preview
| Coordinates | 2244071.cif |
|---|---|
| Structure factors | 2244071.hkl |
| Original IUCr paper | HTML |
| Common name | μ~3~-Tetrathioantimonato-tris[(1,4,8,11-tetraazacyclotetradecane)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate |
|---|---|
| Chemical name | μ~3~-Tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate |
| Formula | C34 H82 N14 O2 S8 Sb2 Zn3 |
| Calculated formula | C34 H82 N14 O2 S8 Sb2 Zn3 |
| Title of publication | Crystal structure of μ~3~-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
| Authors of publication | Näther, Christian; Danker, Felix; Bensch, Wolfgang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 8.7856 ± 0.0003 Å |
| b | 13.1738 ± 0.0006 Å |
| c | 14.0096 ± 0.0006 Å |
| α | 67.018 ± 0.003° |
| β | 77.677 ± 0.003° |
| γ | 84.22 ± 0.003° |
| Cell volume | 1458.1 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274505 (current) | 2022-04-13 | cif/ hkl/ Adding structures of 2244071 via cif-deposit CGI script. |
2244071.cif 2244071.hkl |
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Users of the data should acknowledge the original authors of the
structural data.