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Information card for entry 2244216
Preview
| Coordinates | 2244216.cif |
|---|---|
| Structure factors | 2244216.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tricosa(μ-ethylenediamine)dodecalithium] bis[octaselenidotetraferrate(II/III)]] |
|---|---|
| Formula | C23 H92 Fe4 Li6 N23 Se8 |
| Calculated formula | C23 H92 Fe4 Li6 N23 Se8 |
| Title of publication | [Li~6~(C~2~N~2~H~8~)~11.5~][Fe~4~Se~8~]: the first lithium-containing chalcogenidotetraferrate synthesized in solution |
| Authors of publication | Fuss, Friederike; Thiele, Günther |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 12 |
| a | 11.495 ± 0.002 Å |
| b | 11.665 ± 0.003 Å |
| c | 22.233 ± 0.005 Å |
| α | 92.885 ± 0.008° |
| β | 92.383 ± 0.007° |
| γ | 103.51 ± 0.007° |
| Cell volume | 2890.7 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279230 (current) | 2022-11-11 | cif/ hkl/ Adding structures of 2244216 via cif-deposit CGI script. |
2244216.cif 2244216.hkl |
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