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Information card for entry 7224520
Preview
| Coordinates | 7224520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol |
|---|---|
| Formula | C125 H100 N12 Ni2 O S4 |
| Calculated formula | C125 H100 N12 Ni2 O S4 |
| Title of publication | Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods |
| Authors of publication | Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 2509 |
| a | 10.9587 ± 0.0007 Å |
| b | 12.1349 ± 0.0008 Å |
| c | 19.7621 ± 0.0012 Å |
| α | 93.907 ± 0.001° |
| β | 91.426 ± 0.001° |
| γ | 97.878 ± 0.001° |
| Cell volume | 2595.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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