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Information card for entry 1574703
Preview
| Coordinates | 1574703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H55 O11 P2 S2 |
|---|---|
| Calculated formula | C50 H55 O11 P2 S2 |
| Title of publication | Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture |
| Authors of publication | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.4375 ± 0.0015 Å |
| b | 19.787 ± 0.002 Å |
| c | 18.4255 ± 0.0019 Å |
| α | 90° |
| β | 106.827 ± 0.002° |
| γ | 90° |
| Cell volume | 4689.4 ± 0.9 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299797 (current) | 2025-05-24 | cif/ Adding structures of 1574702, 1574703, 1574704, 1574705 via cif-deposit CGI script. |
1574703.cif |
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Users of the data should acknowledge the original authors of the
structural data.