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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) |
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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
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