Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565159
Preview
| Coordinates | 1565159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 Cl2 Hg N4 O2.5 |
|---|---|
| Calculated formula | C22 H30 Cl2 Hg N4 O2 |
| Title of publication | Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand |
| Authors of publication | Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 506 |
| Pages of publication | 119549 |
| a | 11.1617 ± 0.0019 Å |
| b | 13.094 ± 0.002 Å |
| c | 18.698 ± 0.004 Å |
| α | 90° |
| β | 99.661 ± 0.007° |
| γ | 90° |
| Cell volume | 2694 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270562 (current) | 2021-11-10 | cif/ Adding structures of 1565159 via cif-deposit CGI script. |
1565159.cif |
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.