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Information card for entry 1572939
Preview
| Coordinates | 1572939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C187 H136 B7 Br Cl27 F28 N53 Pd4 |
|---|---|
| Calculated formula | C172 H116 B7 Br Cl12 F28 N48 Pd4 |
| Title of publication | Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage |
| Authors of publication | Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 14.864 ± 0.003 Å |
| b | 57.355 ± 0.012 Å |
| c | 27.051 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 23062 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 37 |
| Hermann-Mauguin space group symbol | C c c 2 |
| Hall space group symbol | C 2 -2c |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.2322 |
| Weighted residual factors for all reflections included in the refinement | 0.2491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295608 (current) | 2024-10-25 | cif/ Adding structures of 1572937, 1572938, 1572939, 1572940, 1572941 via cif-deposit CGI script. |
1572939.cif |
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