Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312573
Preview
Coordinates | 2312573.cif |
---|---|
Structure factors | 2312573.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dibromide |
---|---|
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 | 14.4614 ± 0.0002 Å |
b | 14.1299 ± 0.0002 Å |
c | 10.1503 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2074.09 ± 0.06 Å3 |
Cell temperature | 299.14 ± 0.1 K |
Ambient diffraction temperature | 299.14 ± 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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. |
2312573.cif 2312573.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.