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Information card for entry 2022920
Preview
| Coordinates | 2022920.cif |
|---|---|
| Structure factors | 2022920.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-Hydrogen disulfato)-μ-oxido-bis[(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)oxidovanadium(IV/V)] acetonitrile monosolvate |
|---|---|
| Formula | C38 H52 N5 O11 S2 V2 |
| Calculated formula | C38 H52 N5 O11 S2 V2 |
| Title of publication | Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-<i>tert</i>-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate. |
| Authors of publication | Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1055 - 1058 |
| a | 13.0134 ± 0.0002 Å |
| b | 34.9495 ± 0.0005 Å |
| c | 39.4864 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17958.9 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288148 (current) | 2023-12-07 | cif/ Updating files of 2022920 Original log message: Adding full bibliography for 2022920.cif. |
2022920.cif 2022920.hkl |
| 287050 | 2023-10-20 | cif/ hkl/ Adding structures of 2022920 via cif-deposit CGI script. |
2022920.cif 2022920.hkl |
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Users of the data should acknowledge the original authors of the
structural data.