Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020985
Preview
| Coordinates | 2020985.cif |
|---|---|
| Structure factors | 2020985.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetato-κ<i>O</i>)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) monohydrate |
|---|---|
| Formula | C30 H38 N10 O5 Zn |
| Calculated formula | C30 H38 N10 O5 Zn |
| Title of publication | Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses |
| Authors of publication | Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 13 - 20 |
| a | 8.7481 ± 0.0003 Å |
| b | 11.9399 ± 0.0004 Å |
| c | 16.4168 ± 0.0007 Å |
| α | 84.921 ± 0.003° |
| β | 88.623 ± 0.003° |
| γ | 71.161 ± 0.003° |
| Cell volume | 1616.51 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205707 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2020985, 2020986 via cif-deposit CGI script. |
2020985.cif 2020985.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.