Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022796
Preview
| Coordinates | 2022796.cif |
|---|---|
| Structure factors | 2022796.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)nickel(II) sulfate |
|---|---|
| Formula | C7 H19 N Ni O9 S |
| Calculated formula | C7 H19 N Ni O9 S |
| Title of publication | 3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn |
| Authors of publication | Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 17.1196 ± 0.0008 Å |
| b | 7.0609 ± 0.0003 Å |
| c | 11.2233 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1356.67 ± 0.1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297.15 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 | 0.0262 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284695 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022794, 2022795, 2022796, 2022797 via cif-deposit CGI script. |
2022796.cif 2022796.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.