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Information card for entry 1550540
Preview
| Coordinates | 1550540.cif |
|---|---|
| Structure factors | 1550540.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II) |
|---|---|
| Formula | C14 H8 N4 Pt S2 |
| Calculated formula | C14 H8 N4 Pt S2 |
| SMILES | [Pt]12([n]3ccccc3c3[n]2cccc3)SC(=C(S1)C#N)C#N |
| Title of publication | (2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II) |
| Authors of publication | Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x190158 |
| a | 10.087 ± 0.003 Å |
| b | 7.349 ± 0.002 Å |
| c | 19.442 ± 0.006 Å |
| α | 90° |
| β | 101.276 ± 0.006° |
| γ | 90° |
| Cell volume | 1413.4 ± 0.7 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220.15 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213446 (current) | 2019-02-02 | cif/ hkl/ Adding structures of 1550540 via cif-deposit CGI script. |
1550540.cif 1550540.hkl |
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Users of the data should acknowledge the original authors of the
structural data.