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Information card for entry 2022414
Preview
| Coordinates | 2022414.cif |
|---|---|
| Structure factors | 2022414.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ~6~-Aqua)(μ~3~-propan-2-ol)pentakis(μ~3~-triphenylsilanolato)(μ~2~-triphenylsilanolato)hexapotassium toluene disolvate |
|---|---|
| Formula | C125 H116 K6 O8 Si6 |
| Calculated formula | C125 H116 K6 O8 Si6 |
| Title of publication | Polyoxometalate-like structure of new potassium triphenylsiloxides: [K~6~(OSiPh~3~)~6~(C~3~H~7~OH)(H~2~O)]·2C~6~H~5~CH~3~ and [K~6~(OSiPh~3~)~6~(H~2~O)~2~] |
| Authors of publication | Wytrych, Patrycja; Utko, Józef; Lis, Tadeusz; John, Łukasz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 13.081 ± 0.002 Å |
| b | 14.96 ± 0.003 Å |
| c | 31.017 ± 0.004 Å |
| α | 82.52 ± 0.02° |
| β | 87.24 ± 0.02° |
| γ | 69.51 ± 0.02° |
| Cell volume | 5637.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.2122 |
| Weighted residual factors for all reflections included in the refinement | 0.2207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268119 (current) | 2021-08-18 | cif/ hkl/ Adding structures of 2022414, 2022415 via cif-deposit CGI script. |
2022414.cif 2022414.hkl |
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Users of the data should acknowledge the original authors of the
structural data.