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Information card for entry 2243389
Preview
| Coordinates | 2243389.cif |
|---|---|
| Structure factors | 2243389.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-4-carbonitrile-κ<i>N</i>)vanadium(IV) |
|---|---|
| Formula | C16 H18 N2 O5 V |
| Calculated formula | C16 H18 N2 O5 V |
| SMILES | C1(=CC(C)=[O][V]2([n]3ccc(C#N)cc3)(O1)(=O)OC(=CC(C)=[O]2)C)C |
| 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 | 9.193 ± 0.0009 Å |
| b | 13.508 ± 0.0009 Å |
| c | 13.3651 ± 0.0009 Å |
| α | 90° |
| β | 99.03 ± 0.003° |
| γ | 90° |
| Cell volume | 1639.1 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
2243389.cif 2243389.hkl |
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Users of the data should acknowledge the original authors of the
structural data.