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Information card for entry 1572913
Preview
| Coordinates | 1572913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H10 Cl N O2 |
|---|---|
| Calculated formula | C7 H10 Cl N O2 |
| 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 | 7.7469 ± 0.0004 Å |
| b | 9.1814 ± 0.0005 Å |
| c | 13.0548 ± 0.0007 Å |
| α | 82.272 ± 0.002° |
| β | 80.701 ± 0.002° |
| γ | 66.1 ± 0.002° |
| Cell volume | 835.32 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1572913.cif |
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Users of the data should acknowledge the original authors of the
structural data.