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Information card for entry 8106724
Preview
| Coordinates | 8106724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 N2 O7 |
|---|---|
| Calculated formula | C11 H16 N2 O7 |
| Title of publication | Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7 |
| Authors of publication | Zeng, Huahui; Shen, Qianjin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 929 - 930 |
| a | 13.753 ± 0.003 Å |
| b | 6.9471 ± 0.0015 Å |
| c | 13.797 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1318.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.671 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280825 (current) | 2023-02-08 | cif/ Adding structures of 8106724 via cif-deposit CGI script. |
8106724.cif |
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Users of the data should acknowledge the original authors of the
structural data.