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Information card for entry 2022307
Preview
| Coordinates | 2022307.cif |
|---|---|
| Structure factors | 2022307.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-3-yl)ethan-1-one-κ<i>N</i>]tetracopper(I) dichloromethane disolvate |
|---|---|
| Formula | C70 H70 Cl4 Cu4 I4 N2 O2 P4 |
| Calculated formula | C70 H70 Cl4 Cu4 I4 N2 O2 P4 |
| SMILES | c1c([P]2(c3ccccc3)CCC[P](c3ccccc3)(c3ccccc3)[Cu]3([I]4[Cu]52[I]2[Cu]4([I]3)[P](c3ccccc3)(c3ccccc3)CCC[P](c3ccccc3)(c3ccccc3)[Cu]2([I]5)[n]2cc(ccc2)C(=O)C)[n]2cc(ccc2)C(=O)C)cccc1.C(Cl)Cl.C(Cl)Cl |
| 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 | 11.95 ± 0.002 Å |
| b | 12.443 ± 0.003 Å |
| c | 13.06 ± 0.003 Å |
| α | 83.43 ± 0.03° |
| β | 86.3 ± 0.03° |
| γ | 83.76 ± 0.03° |
| Cell volume | 1915.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
2022307.cif 2022307.hkl |
| 260728 | 2021-01-07 | cif/ hkl/ Adding structures of 2022307, 2022308 via cif-deposit CGI script. |
2022307.cif 2022307.hkl |
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