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Information card for entry 7160735
Preview
| Coordinates | 7160735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 Cl2 N4 O8 Pb S4 |
|---|---|
| Calculated formula | C32 H24 Cl2 N4 O8 Pb S4 |
| Title of publication | Thiosquaramides: Dual-Function Ionophores for Zn²⁺ and Cl⁻ with Ion Dependent Anti-Microbial Activity |
| Authors of publication | Elmes, Robert B. P.; Luo, Xuanyang; Brennan, Luke Edward; Hawes, Chris Samuel; Kraemer, Tobias; Farragher, John P.; Robinson, Shane; Kavanagh, Kevin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 17.8074 ± 0.0018 Å |
| b | 19.4115 ± 0.0017 Å |
| c | 21.364 ± 0.002 Å |
| α | 90° |
| β | 107.795 ± 0.003° |
| γ | 90° |
| Cell volume | 7031.5 ± 1.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1409 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302203 (current) | 2025-09-20 | cif/ Adding structures of 7160733, 7160734, 7160735 via cif-deposit CGI script. |
7160735.cif |
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Users of the data should acknowledge the original authors of the
structural data.