Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243390
Preview
| Coordinates | 2243390.cif |
|---|---|
| Structure factors | 2243390.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methoxypyridine-κ<i>N</i>)oxidovanadium(IV) |
|---|---|
| Formula | C16 H21 N O6 V |
| Calculated formula | C16 H21 N O6 V |
| SMILES | [V]12(=O)([O]=C(C=C(O1)C)C)(OC(=CC(=[O]2)C)C)[n]1ccc(OC)cc1 |
| Title of publication | Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands |
| Authors of publication | Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 826 - 830 |
| a | 9.6619 ± 0.0015 Å |
| b | 11.9922 ± 0.0019 Å |
| c | 15.344 ± 0.002 Å |
| α | 90° |
| β | 94.651 ± 0.002° |
| γ | 90° |
| Cell volume | 1772 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252093 (current) | 2020-05-16 | cif/ hkl/ Adding structures of 2243388, 2243389, 2243390 via cif-deposit CGI script. |
2243390.cif 2243390.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.