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Information card for entry 1558688
Preview
| Coordinates | 1558688.cif |
|---|---|
| Structure factors | 1558688.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV) |
|---|---|
| Formula | C8 H6 N6 Pt S4 |
| Calculated formula | C8 H6 N6 Pt S4 |
| SMILES | C1(S[Pt]2([NH3])(SC=1C#N)([NH3])SC(=C(S2)C#N)C#N)C#N |
| Title of publication | <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV) |
| Authors of publication | Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | x200980 |
| a | 6.1778 ± 0.0003 Å |
| b | 7.77 ± 0.0004 Å |
| c | 14.8862 ± 0.0007 Å |
| α | 90° |
| β | 95.935 ± 0.004° |
| γ | 90° |
| Cell volume | 710.73 ± 0.06 Å3 |
| Cell temperature | 100.02 ± 0.11 K |
| Ambient diffraction temperature | 100.02 ± 0.11 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 | 0.0202 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0373 |
| Weighted residual factors for all reflections included in the refinement | 0.0383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254648 (current) | 2020-07-29 | cif/ hkl/ Adding structures of 1558688 via cif-deposit CGI script. |
1558688.cif 1558688.hkl |
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Users of the data should acknowledge the original authors of the
structural data.