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Information card for entry 2012209
Preview
| Coordinates | 2012209.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV) |
|---|---|
| Formula | C15 H22 O2 S5 Sn |
| Calculated formula | C15 H22 O2 S5 Sn |
| SMILES | [Sn]1(SC2SC(=S)SC=2S1)(C(CC(=O)C)(C)C)C(CC(=O)C)(C)C |
| Title of publication | Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K |
| Authors of publication | Howie, R. Alan; Wardell, James L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | 1041 - 1043 |
| a | 11.067 ± 0.0002 Å |
| b | 15.4499 ± 0.0004 Å |
| c | 12.2682 ± 0.0002 Å |
| α | 90° |
| β | 94.7892 ± 0.0016° |
| γ | 90° |
| Cell volume | 2090.34 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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