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Information card for entry 2022538
Preview
| Coordinates | 2022538.cif |
|---|---|
| Structure factors | 2022538.hkl |
| Original IUCr paper | HTML |
| Common name | (18-Crown-6)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate |
|---|---|
| Chemical name | (1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate |
| Formula | C55 H77 K O9 P V |
| Calculated formula | C55.004 H77.008 K O9.001 P V |
| 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 | 9.6431 ± 0.0012 Å |
| b | 14.4883 ± 0.0018 Å |
| c | 20.804 ± 0.003 Å |
| α | 74.992 ± 0.002° |
| β | 84.667 ± 0.002° |
| γ | 71.815 ± 0.002° |
| Cell volume | 2667 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
2022538.cif 2022538.hkl |
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Users of the data should acknowledge the original authors of the
structural data.