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Information card for entry 7240633
Preview
Coordinates | 7240633.cif |
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Original paper (by DOI) | HTML |
Common name | 2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate |
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Chemical name | 2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate |
Formula | C14 H13 Cl4 N O |
Calculated formula | C14 H13 Cl4 N O |
Title of publication | Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies |
Authors of publication | Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 7.673 ± 0.0018 Å |
b | 15.707 ± 0.003 Å |
c | 24.892 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3000 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0484 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7240633.html
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