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Information card for entry 2022536
Preview
| Coordinates | 2022536.cif |
|---|---|
| Structure factors | 2022536.hkl |
| Original IUCr paper | HTML |
| Common name | ([2.2.2]Cryptand)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(η^4^-naphthalene)vanadium tetrahydrofuran |
|---|---|
| Chemical name | (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(naphthalene)vanadium tetrahydrofuran |
| Formula | C48 H76 K N2 O7 P2 V |
| Calculated formula | C48 H76 K N2 O7 P2 V |
| SMILES | [CH]12[V]345678([P](C)(C)CC[P]8(C)C)([CH](=[CH]3[CH]=25)c2c1cccc2)[CH]1=[CH]4[CH]6=[CH]7c2ccccc12.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.O1CCCC1 |
| 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 | 10.3028 ± 0.0011 Å |
| b | 8.6409 ± 0.0009 Å |
| c | 14.5778 ± 0.0015 Å |
| α | 90° |
| β | 108.835 ± 0.002° |
| γ | 90° |
| Cell volume | 1228.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 3 |
| Hermann-Mauguin space group symbol | P 1 2 1 |
| Hall space group symbol | P 2y |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2022536.cif 2022536.hkl |
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