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Information card for entry 2222471
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| Coordinates | 2222471.cif |
|---|---|
| Structure factors | 2222471.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-2-[(3,5-di-<i>tert</i>-butyl- 4-hydroxybenzyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C70 H80 O6 S2 Sn2 |
| Calculated formula | C70 H80 O6 S2 Sn2 |
| SMILES | [Sn](OC(=[O][Sn](OC(=O)CSCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1)CSCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Lee, See Mun; Lo, Kong Mun; Mohd Ali, Hapipah; Robinson, Ward T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 7 |
| Pages of publication | m808 |
| a | 23.1141 ± 0.0003 Å |
| b | 10.6933 ± 0.0001 Å |
| c | 26.4904 ± 0.0003 Å |
| α | 90° |
| β | 105.318 ± 0.001° |
| γ | 90° |
| Cell volume | 6314.92 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2222471.html
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Users of the data should acknowledge the original authors of the
structural data.