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Information card for entry 7710452
Preview
| Coordinates | 7710452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 Cl N3 O S2 Zn |
|---|---|
| Calculated formula | C17 H26 Cl N3 O S2 Zn |
| SMILES | [Zn]123(Cl)SCC[N]3=C(c3[n]2c(C2(SCC[NH]12)C)ccc3)C.O1CCCC1 |
| Title of publication | Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands |
| Authors of publication | Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.3375 ± 0.0007 Å |
| b | 10.4522 ± 0.0008 Å |
| c | 12.1145 ± 0.001 Å |
| α | 113.635 ± 0.002° |
| β | 90.407 ± 0.002° |
| γ | 108.202 ± 0.002° |
| Cell volume | 1017 ± 0.14 Å3 |
| Cell temperature | 119.99 K |
| Ambient diffraction temperature | 119.99 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275932 (current) | 2022-06-09 | cif/ Adding structures of 7710450, 7710451, 7710452, 7710453, 7710454, 7710455, 7710456, 7710457 via cif-deposit CGI script. |
7710452.cif |
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Users of the data should acknowledge the original authors of the
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