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Information card for entry 2005143
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| Coordinates | 2005143.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H10 N6 |
|---|---|
| Calculated formula | C12 H10 N6 |
| Title of publication | An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine |
| Authors of publication | Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1841 - 1843 |
| a | 7.3732 ± 0.0007 Å |
| b | 11.0354 ± 0.0009 Å |
| c | 13.82 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1124.48 ± 0.16 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0379 |
| Goodness-of-fit parameter for significantly intense reflections | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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