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Information card for entry 2023028
Preview
| Coordinates | 2023028.cif |
|---|---|
| Structure factors | 2023028.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethylammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate |
|---|---|
| Formula | C16 H22 N5 O5 V |
| Calculated formula | C16 H22 N5 O5 V |
| Title of publication | Crystal structure of di-ethyl-ammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate. |
| Authors of publication | Mondal, Bipul |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 277 - 280 |
| a | 7.685 ± 0.0004 Å |
| b | 9.4135 ± 0.0004 Å |
| c | 13.9147 ± 0.0007 Å |
| α | 105.609 ± 0.002° |
| β | 101.103 ± 0.002° |
| γ | 96.253 ± 0.002° |
| Cell volume | 937.5 ± 0.08 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291121 (current) | 2024-04-06 | cif/ Updating files of 2023028 Original log message: Adding full bibliography for 2023028.cif. |
2023028.cif 2023028.hkl |
| 289768 | 2024-02-09 | cif/ hkl/ Adding structures of 2023028 via cif-deposit CGI script. |
2023028.cif 2023028.hkl |
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Users of the data should acknowledge the original authors of the
structural data.