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Information card for entry 1572915
Preview
| Coordinates | 1572915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H5 Cl2 N O |
|---|---|
| Calculated formula | C5 H5 Cl2 N O |
| Title of publication | Dichlorine-Pyridine N-oxide Halogen-Bonded Complexes |
| Authors of publication | Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Puttreddy, Rakesh R.; Rissanen, Kari |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 13.8648 ± 0.001 Å |
| b | 13.76 ± 0.0008 Å |
| c | 16.1649 ± 0.0015 Å |
| α | 90° |
| β | 115.221 ± 0.002° |
| γ | 90° |
| Cell volume | 2789.9 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0874 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.246 |
| Weighted residual factors for all reflections included in the refinement | 0.2593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295572 (current) | 2024-10-22 | cif/ Adding structures of 1572907, 1572908, 1572909, 1572910, 1572911, 1572912, 1572913, 1572914, 1572915, 1572916 via cif-deposit CGI script. |
1572915.cif |
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Users of the data should acknowledge the original authors of the
structural data.