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Information card for entry 8105839
Preview
| Coordinates | 8105839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 N2 O2 |
|---|---|
| Calculated formula | C9 H12 N2 O2 |
| Title of publication | Crystal structure of hemikis(cyclohexane-1,4-diammonium) (pyridine-2-carboxylate), [C6H16N2]0.5[C6H4NO2] |
| Authors of publication | Tan, Sang Loon; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 749 - 751 |
| a | 6.7956 ± 0.0002 Å |
| b | 7.284 ± 0.0003 Å |
| c | 10.2615 ± 0.0004 Å |
| α | 70.483 ± 0.003° |
| β | 80.902 ± 0.003° |
| γ | 66.404 ± 0.003° |
| Cell volume | 438.55 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278082 (current) | 2022-09-22 | cif/ Adding structures of 8105839 via cif-deposit CGI script. |
8105839.cif |
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Users of the data should acknowledge the original authors of the
structural data.