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Information card for entry 1572909
Preview
Coordinates | 1572909.cif |
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Original paper (by DOI) | HTML |
Formula | C7 H9 Cl2 N O |
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Calculated formula | C7 H9 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 | 6.9789 ± 0.0007 Å |
b | 7.1228 ± 0.0006 Å |
c | 8.6438 ± 0.0009 Å |
α | 90° |
β | 92.072 ± 0.004° |
γ | 90° |
Cell volume | 429.4 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
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. |
1572909.cif |
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Users of the data should acknowledge the original authors of the
structural data.