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Information card for entry 2022723
Preview
| Coordinates | 2022723.cif |
|---|---|
| Structure factors | 2022723.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[octakis(dimethyl sulfoxide-κ<i>O</i>)ytterbium(III)] pentabromidoplumbate(II) tribromide dimethyl sulfoxide monosolvate |
|---|---|
| Formula | C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb |
| Calculated formula | C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb |
| Title of publication | Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ<i>O</i>)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor. |
| Authors of publication | Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 402 - 405 |
| a | 14.394 ± 0.0002 Å |
| b | 14.394 ± 0.0002 Å |
| c | 40.6538 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8422.9 ± 0.2 Å3 |
| Cell temperature | 93.15 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 7 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.2103 |
| Weighted residual factors for all reflections included in the refinement | 0.2253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283584 (current) | 2023-05-06 | cif/ Updating files of 2022723 Original log message: Adding full bibliography for 2022723.cif. |
2022723.cif 2022723.hkl |
| 282405 | 2023-04-05 | cif/ hkl/ Adding structures of 2022723 via cif-deposit CGI script. |
2022723.cif 2022723.hkl |
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