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Information card for entry 2312574
Preview
Coordinates | 2312574.cif |
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Structure factors | 2312574.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dibromide |
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Formula | C18 H14 Br2 N6 O Zn |
Calculated formula | C18 H14 Br2 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 | 9.9449 ± 0.0003 Å |
b | 14.1246 ± 0.0004 Å |
c | 14.3921 ± 0.0004 Å |
α | 90° |
β | 93.216 ± 0.002° |
γ | 90° |
Cell volume | 2018.44 ± 0.1 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for significantly intense reflections | 0.236 |
Weighted residual factors for all reflections included in the refinement | 0.249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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 |
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294093 (current) | 2024-08-13 | cif/ hkl/ Adding structures of 2312573, 2312574, 2312575 via cif-deposit CGI script. |
2312574.cif 2312574.hkl |
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Users of the data should acknowledge the original authors of the
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