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Information card for entry 1558951
Preview
| Coordinates | 1558951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-[PtCl2(1,4-thioxane)2] |
|---|---|
| Formula | C8 H16 Cl2 O2 Pt S2 |
| Calculated formula | C8 Cl2 O2 Pt S2 |
| SMILES | Cl[Pt]([S]1CCOCC1)([S]1CCOCC1)Cl |
| Title of publication | Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2] |
| Authors of publication | Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 554 - 559 |
| a | 7.959 ± 0.005 Å |
| b | 8.972 ± 0.001 Å |
| c | 18.59 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1327.5 ± 0.9 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255779 (current) | 2020-09-01 | cif/ Adding structures of 1558951 via cif-deposit CGI script. |
1558951.cif |
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Users of the data should acknowledge the original authors of the
structural data.