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Information card for entry 4033827
Preview
| Coordinates | 4033827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H22 Cl2 Cu N2 O8 S2 |
|---|---|
| Calculated formula | C10 H22 Cl2 Cu N2 O8 S2 |
| Title of publication | Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane. |
| Authors of publication | Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 17 |
| Pages of publication | 11091 - 11102 |
| a | 14.0671 ± 0.001 Å |
| b | 9.6321 ± 0.0007 Å |
| c | 13.0463 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1767.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1263 |
| Residual factor for significantly intense reflections | 0.1251 |
| Weighted residual factors for significantly intense reflections | 0.3006 |
| Weighted residual factors for all reflections included in the refinement | 0.301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.326 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222402 (current) | 2019-11-04 | cif/ Adding structures of 4033827 via cif-deposit CGI script. |
4033827.cif |
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