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Information card for entry 2022308
Preview
| Coordinates | 2022308.cif |
|---|---|
| Structure factors | 2022308.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ~2~-1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-di-μ~2~-iodido-[1-(pyridin-4-yl)ethan-1-one-κ<i>N</i>]tetracopper(I) |
|---|---|
| Formula | C68 H66 Cu4 I4 N2 O2 P4 |
| Calculated formula | C68 H66 Cu4 I4 N2 O2 P4 |
| SMILES | [I]12[Cu]3([I][Cu]42[I]2[Cu]1([I][Cu]2([n]1ccc(cc1)C(=O)C)[P](CCC[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCC[P]3(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=O)C |
| Title of publication | Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands |
| Authors of publication | Cao, Bing-Jun; Li, Ran; Huang, Xi-He |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 61 - 67 |
| a | 11.981 ± 0.002 Å |
| b | 12.996 ± 0.003 Å |
| c | 13.23 ± 0.003 Å |
| α | 62.49 ± 0.03° |
| β | 68.32 ± 0.03° |
| γ | 83.71 ± 0.03° |
| Cell volume | 1693.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1266 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262766 (current) | 2021-03-05 | cif/ Updating files of 2022307, 2022308 Original log message: Adding full bibliography for 2022307--2022308.cif. |
2022308.cif 2022308.hkl |
| 260728 | 2021-01-07 | cif/ hkl/ Adding structures of 2022307, 2022308 via cif-deposit CGI script. |
2022308.cif 2022308.hkl |
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