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Information card for entry 2008297
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| Coordinates | 2008297.cif |
|---|---|
| Structure factors | 2008297.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate) |
|---|---|
| Formula | C19 H34 N2 O3 S2 |
| Calculated formula | C19 H34 N2 O3 S2 |
| SMILES | C(=O)(CSC(=S)N1CCOCC1)[O-].C1(CCCCC1)[NH2+]C1CCCCC1 |
| Title of publication | Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate) |
| Authors of publication | Ng, Seik Weng; Hook, James M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 312 - 316 |
| a | 20.771 ± 0.001 Å |
| b | 9.1734 ± 0.0006 Å |
| c | 22.756 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4335.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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