Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709163
Preview
| Coordinates | 7709163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 N6 O7 Zn |
|---|---|
| Calculated formula | C11 H10 N6 O7 Zn |
| SMILES | [Zn]1(ON(=O)=O)(ON(=O)=O)([OH2])[n]2c(n3[n]1c1cccnc1c3)cccc2 |
| Title of publication | Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines |
| Authors of publication | Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 24.908 ± 0.003 Å |
| b | 7.1377 ± 0.0007 Å |
| c | 16.5359 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2939.8 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271593 (current) | 2021-12-23 | cif/ Adding structures of 7709157, 7709158, 7709159, 7709160, 7709161, 7709162, 7709163, 7709164, 7709165, 7709166, 7709167 via cif-deposit CGI script. |
7709163.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.