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Information card for entry 7134710
Preview
| Coordinates | 7134710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H90 N4 O18 S2 |
|---|---|
| Calculated formula | C73 H90 N4 O18 S2 |
| Title of publication | Pillar[5]arene-based ionic single crystals formed by dual self-assemblies through host-guest and ionic interactions for iodine capture |
| Authors of publication | Zhang, Ting; Wang, Lulu; Li, Hui; Sun, Mingxia; Chen, Jia; Guan, Shuzhe; Qiu, Hongdeng |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 13.938 ± 0.003 Å |
| b | 16.892 ± 0.004 Å |
| c | 18.001 ± 0.004 Å |
| α | 77.27 ± 0.004° |
| β | 68.987 ± 0.004° |
| γ | 75.532 ± 0.004° |
| Cell volume | 3790.6 ± 1.5 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1828 |
| Residual factor for significantly intense reflections | 0.0844 |
| Weighted residual factors for significantly intense reflections | 0.2298 |
| Weighted residual factors for all reflections included in the refinement | 0.2962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300051 (current) | 2025-06-12 | cif/ Adding structures of 7134710 via cif-deposit CGI script. |
7134710.cif |
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