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Information card for entry 2241986
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| Coordinates | 2241986.cif |
|---|---|
| Structure factors | 2241986.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-poly[[Bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido] |
|---|---|
| Formula | C12 H22 Cu I N2 O2 S2 |
| Calculated formula | C12 H22 Cu I N2 O2 S2 |
| SMILES | [Cu](I)([S]1CCN(CC1)C(=O)C)([S]1CCN(CC1)C(=O)C)[I][Cu]([S]1CCN(CC1)C(=O)C)[S]1CCN(CC1)C(=O)C |
| Title of publication | Crystal structure of <i>catena</i>-poly[[bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido] |
| Authors of publication | Chiang, Hojae; Kim, Tae Ho; Park, Hyunjin; Kim, Jineun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 53 - 55 |
| a | 14.1513 ± 0.0004 Å |
| b | 7.6557 ± 0.0002 Å |
| c | 16.9423 ± 0.0004 Å |
| α | 90° |
| β | 113.805 ± 0.001° |
| γ | 90° |
| Cell volume | 1679.34 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0213 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.0445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189165 (current) | 2016-12-17 | cif/ hkl/ Adding structures of 2241986 via cif-deposit CGI script. |
2241986.cif 2241986.hkl |
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Users of the data should acknowledge the original authors of the
structural data.