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Information card for entry 2022540
Preview
| Coordinates | 2022540.cif |
|---|---|
| Structure factors | 2022540.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ~3~-η^6^:η^6^:η^6^-Anthracene)(μ~2~-η^6^:η^6^-anthracene)tris(tetrahydrofuran)sodiumdivanadium |
|---|---|
| Formula | C40 H44 Na O3 V2 |
| Calculated formula | C40 H44 Na O3 V2 |
| Title of publication | Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] |
| Authors of publication | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 |
| a | 10.9951 ± 0.0016 Å |
| b | 12.0777 ± 0.0018 Å |
| c | 13.502 ± 0.002 Å |
| α | 78.594 ± 0.003° |
| β | 68.517 ± 0.003° |
| γ | 78.738 ± 0.003° |
| Cell volume | 1620.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0882 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272899 (current) | 2022-02-10 | cif/ hkl/ Adding structures of 2022535, 2022536, 2022537, 2022538, 2022539, 2022540 via cif-deposit CGI script. |
2022540.cif 2022540.hkl |
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Users of the data should acknowledge the original authors of the
structural data.