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Information card for entry 2022196
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| Coordinates | 2022196.cif |
|---|---|
| Structure factors | 2022196.hkl |
| Original IUCr paper | HTML |
| Common name | Tris(theobrominium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate |
|---|---|
| Chemical name | Tris(3,7-dimethylxanthinium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate |
| Formula | C24 H36 N12 O47.5 P W12 |
| Calculated formula | C24 H36 N12 O47.5 P W12 |
| Title of publication | Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates |
| Authors of publication | Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| a | 10.8071 ± 0.0004 Å |
| b | 23.4412 ± 0.0013 Å |
| c | 23.6644 ± 0.001 Å |
| α | 90° |
| β | 90.72 ± 0.003° |
| γ | 90° |
| Cell volume | 5994.5 ± 0.5 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254469 (current) | 2020-07-22 | cif/ hkl/ Adding structures of 2022195, 2022196 via cif-deposit CGI script. |
2022196.cif 2022196.hkl |
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Users of the data should acknowledge the original authors of the
structural data.