Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106031
Preview
| Coordinates | 8106031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H8.5 N2 O7.25 Zn |
|---|---|
| Calculated formula | C6 H8.5 N2 O7.25 Zn |
| Title of publication | Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4 O,N:O′:O′′)zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn |
| Authors of publication | Linxin, Deng; Song, Li; Xingyu, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 1 |
| Pages of publication | 21 - 22 |
| a | 6.4463 ± 0.0005 Å |
| b | 8.418 ± 0.0007 Å |
| c | 9.837 ± 0.0008 Å |
| α | 66.13 ± 0.001° |
| β | 79.537 ± 0.001° |
| γ | 81.153 ± 0.002° |
| Cell volume | 478.11 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279143 (current) | 2022-11-09 | cif/ Adding structures of 8106031 via cif-deposit CGI script. |
8106031.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.