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Information card for entry 7703003
Preview
| Coordinates | 7703003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H24 O3 S2 |
|---|---|
| Calculated formula | C20 H24 O3 S2 |
| Title of publication | Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination. |
| Authors of publication | Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 5 |
| Pages of publication | 1365 - 1369 |
| a | 14.7867 ± 0.0002 Å |
| b | 4.6209 ± 0.0001 Å |
| c | 27.4643 ± 0.0003 Å |
| α | 90° |
| β | 94.362 ± 0.001° |
| γ | 90° |
| Cell volume | 1871.14 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0394 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703003.cif |
| 248938 | 2020-03-05 | cif/ Updating files of 7703003, 7703004, 7703005, 7703006 Original log message: Adding full bibliography for 7703003--7703006.cif. |
7703003.cif |
| 245368 | 2019-12-19 | cif/ Adding structures of 7703003, 7703004, 7703005, 7703006 via cif-deposit CGI script. |
7703003.cif |
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Users of the data should acknowledge the original authors of the
structural data.