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Information card for entry 2020693
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| Coordinates | 2020693.cif |
|---|---|
| Structure factors | 2020693.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate |
|---|---|
| Formula | C11 H19.5 Cu2 F6 N6.5 O3 S4 Si |
| Calculated formula | C11 H19.5 Cu2 F6 N6.5 O3 S4 Si |
| Title of publication | Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core |
| Authors of publication | Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 36 - 46 |
| a | 11.899 ± 0.004 Å |
| b | 11.442 ± 0.004 Å |
| c | 17.678 ± 0.005 Å |
| α | 90° |
| β | 102.04 ± 0.03° |
| γ | 90° |
| Cell volume | 2353.9 ± 1.3 Å3 |
| Cell temperature | 260 ± 2 K |
| Ambient diffraction temperature | 260.15 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191418 (current) | 2017-02-04 | cif/ Updating files of 2020689, 2020690, 2020691, 2020692, 2020693, 2020694 Original log message: Adding full bibliography for 2020689--2020694.cif. |
2020693.cif 2020693.hkl |
| 189010 | 2016-12-09 | cif/ hkl/ Adding structures of 2020689, 2020690, 2020691, 2020692, 2020693, 2020694 via cif-deposit CGI script. |
2020693.cif 2020693.hkl |
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Users of the data should acknowledge the original authors of the
structural data.