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Information card for entry 2243388
Preview
| Coordinates | 2243388.cif |
|---|---|
| Structure factors | 2243388.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-κ<i>N</i>)vanadium(IV) |
|---|---|
| Formula | C15 H19 N O5 V |
| Calculated formula | C15 H19 N O5 V |
| SMILES | C1(=CC(=[O][V]2([n]3ccccc3)(=O)(O1)OC(=CC(C)=[O]2)C)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 | 7.882 ± 0.0005 Å |
| b | 15.2092 ± 0.0011 Å |
| c | 13.9871 ± 0.0009 Å |
| α | 90° |
| β | 103.367 ± 0.002° |
| γ | 90° |
| Cell volume | 1631.33 ± 0.19 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
2243388.cif 2243388.hkl |
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Users of the data should acknowledge the original authors of the
structural data.