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Information card for entry 2022539
Preview
| Coordinates | 2022539.cif |
|---|---|
| Structure factors | 2022539.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(1,2-dimethoxyethane)potassium bis(η^4^-anthracene)[1,2-bis(dimethylphosphanyl)ethane]vanadium |
|---|---|
| Formula | C50 H76 K O8 P2 V |
| Calculated formula | C50 H76 K O8 P2 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 | 12.4421 ± 0.0007 Å |
| b | 13.9771 ± 0.0008 Å |
| c | 15.1934 ± 0.0009 Å |
| α | 97.35 ± 0.001° |
| β | 93.436 ± 0.001° |
| γ | 101.178 ± 0.001° |
| Cell volume | 2561 ± 0.3 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
2022539.cif 2022539.hkl |
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Users of the data should acknowledge the original authors of the
structural data.