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Information card for entry 2312575
Preview
Coordinates | 2312575.cif |
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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 |
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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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