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Information card for entry 1550542
Preview
| Coordinates | 1550542.cif |
|---|---|
| Structure factors | 1550542.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II) |
|---|---|
| Formula | C10 H12 N2 Pt S2 |
| Calculated formula | C10 H12 N2 Pt S2 |
| SMILES | [Pt]123(SC#N)(SC#N)[CH]4CC[CH]1=[CH]3CC[CH]2=4 |
| Title of publication | [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II) |
| Authors of publication | Ha, Kwang |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x190162 |
| a | 16.8696 ± 0.0012 Å |
| b | 7.5226 ± 0.0006 Å |
| c | 9.054 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1148.98 ± 0.14 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0202 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213448 (current) | 2019-02-02 | cif/ hkl/ Adding structures of 1550542 via cif-deposit CGI script. |
1550542.cif 1550542.hkl |
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Users of the data should acknowledge the original authors of the
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