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Information card for entry 2312575
Preview
| Coordinates | 2312575.cif |
|---|---|
| Structure factors | 2312575.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dichloride |
|---|---|
| Formula | C18 H14 Cl2 N6 O Zn |
| Calculated formula | C18 H14 Cl2 N6 O Zn |
| Title of publication | Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide. |
| Authors of publication | Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 9 |
| a | 14.1507 ± 0.0005 Å |
| b | 14.0162 ± 0.0005 Å |
| c | 9.8624 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1956.1 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.082 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.2117 |
| Weighted residual factors for all reflections included in the refinement | 0.2197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294093 (current) | 2024-08-13 | cif/ hkl/ Adding structures of 2312573, 2312574, 2312575 via cif-deposit CGI script. |
2312575.cif 2312575.hkl |
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Users of the data should acknowledge the original authors of the
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